[5-[3-[[4-(1H-benzimidazol-2-yl)thiophen-2-yl]methylamino]-3-oxidanylidene-propyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl] ethanoate

Systemtic Name: [5-[3-[[4-(1H-benzimidazol-2-yl)thiophen-2-yl]methylamino]-3-oxidanylidene-propyl]-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl] ethanoate Openeye Name: [5-[3-[[4-(1H-benzimidazol-2-yl)-2-thienyl]methylamino]-3-oxo-propyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl] acetate CAS Name: acetic acid [5-[3-[[4-(1H-benzimidazol-2-yl)-2-thiophenyl]methylamino]-3-oxopropyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl] ester IUPAC Name: [5-[3-[[4-(1H-benzimidazol-2-yl)thiophen-2-yl]methylamino]-3-oxopropyl]-6-oxo-11H-benzo[c][1]benzazepin-11-yl] acetate Traditional Name: acetic acid [5-[3-[[4-(1H-benzimidazol-2-yl)-2-thienyl]methylamino]-3-keto-propyl]-6-keto-11H-benzo[c][1]benzazepin-11-yl] ester Formula: C31H26N4O4S MolecularWeight: 550.62754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CCC(=O)NCC4=CC(=CS4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CC(=O)OC1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CCC(=O)NCC4=CC(=CS4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C31H26N4O4S/c1-19(36)39-29-22-8-2-3-9-23(22)31(38)35(27-13-7-4-10-24(27)29)15-14-28(37)32-17-21-16-20(18-40-21)30-33-25-11-5-6-12-26(25)34-30/h2-13,16,18,29H,14-15,17H2,1H3,(H,32,37)(H,33,34)