N-[3-[[2-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-[3-[[2-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[3-[[2-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3,4-dioxo-cyclobuten-1-yl]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[3-[[2-[2-(1-methyl-2-pyrrolidinyl)ethylamino]-3,4-dioxo-1-cyclobutenyl]amino]phenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[3-[[2-[2-(1-methylpyrrolidin-2-yl)ethylamino]-3,4-dioxocyclobuten-1-yl]amino]phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[3-[[3,4-diketo-2-[2-(1-methylpyrrolidin-2-yl)ethylamino]cyclobuten-1-yl]amino]phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C32H32N6O3S MolecularWeight: 580.69988

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1CCNC2=C(C(=O)C2=O)NC3=CC(=CC=C3)NC(=O)C4=C(C=CS4)NCC5=CC=NC6=CC=CC=C56

Isomeric SMILES

CN1CCCC1CCNC2=C(C(=O)C2=O)NC3=CC(=CC=C3)NC(=O)C4=C(C=CS4)NCC5=CC=NC6=CC=CC=C56

InChI

InChI=1S/C32H32N6O3S/c1-38-16-5-8-23(38)12-15-34-27-28(30(40)29(27)39)36-21-6-4-7-22(18-21)37-32(41)31-26(13-17-42-31)35-19-20-11-14-33-25-10-3-2-9-24(20)25/h2-4,6-7,9-11,13-14,17-18,23,34-36H,5,8,12,15-16,19H2,1H3,(H,37,41)