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

Systemtic Name: N-[3-[3,4-bis(oxidanylidene)-2-piperidin-1-yl-cyclobuten-1-yl]-4-methyl-phenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Openeye Name: N-[3-[3,4-dioxo-2-(1-piperidyl)cyclobuten-1-yl]-4-methyl-phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide CAS Name: N-[3-[3,4-dioxo-2-(1-piperidinyl)-1-cyclobutenyl]-4-methylphenyl]-3-(4-quinolinylmethylamino)-2-thiophenecarboxamide IUPAC Name: N-[3-(3,4-dioxo-2-piperidin-1-ylcyclobuten-1-yl)-4-methylphenyl]-3-(quinolin-4-ylmethylamino)thiophene-2-carboxamide Traditional Name: N-[3-(3,4-diketo-2-piperidino-cyclobuten-1-yl)-4-methyl-phenyl]-3-(4-quinolylmethylamino)thiophene-2-carboxamide Formula: C31H28N4O3S MolecularWeight: 536.64402

Click to see the large picture

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)N6CCCCC6

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)N6CCCCC6

InChI

InChI=1S/C31H28N4O3S/c1-19-9-10-21(17-23(19)26-27(29(37)28(26)36)35-14-5-2-6-15-35)34-31(38)30-25(12-16-39-30)33-18-20-11-13-32-24-8-4-3-7-22(20)24/h3-4,7-13,16-17,33H,2,5-6,14-15,18H2,1H3,(H,34,38)