N-[3-[3,4-bis(oxidanylidene)-2-(2-piperidin-1-ylethylamino)cyclobuten-1-yl]-4-methyl-phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide

Systemtic Name: N-[3-[3,4-bis(oxidanylidene)-2-(2-piperidin-1-ylethylamino)cyclobuten-1-yl]-4-methyl-phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[3-[3,4-dioxo-2-[2-(1-piperidyl)ethylamino]cyclobuten-1-yl]-4-methyl-phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[3-[3,4-dioxo-2-[2-(1-piperidinyl)ethylamino]-1-cyclobutenyl]-4-methylphenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[3-[3,4-dioxo-2-(2-piperidin-1-ylethylamino)cyclobuten-1-yl]-4-methylphenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[3-[3,4-diketo-2-(2-piperidinoethylamino)cyclobuten-1-yl]-4-methyl-phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C33H33N5O3S MolecularWeight: 579.71182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)NCC3=CC=NC4=CC=CC=C34)C5=C(C(=O)C5=O)NCCN6CCCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)NCC3=CC=NC4=CC=CC=C34)C5=C(C(=O)C5=O)NCCN6CCCCC6

InChI

InChI=1S/C33H33N5O3S/c1-21-9-10-23(19-25(21)28-29(31(40)30(28)39)35-14-17-38-15-5-2-6-16-38)37-33(41)32-27(12-18-42-32)36-20-22-11-13-34-26-8-4-3-7-24(22)26/h3-4,7-13,18-19,35-36H,2,5-6,14-17,20H2,1H3,(H,37,41)