N-[5-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide CAS Name: N-[5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Traditional Name: N-[5-(2-amino-2-keto-ethyl)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-1H-indole-2-carboxamide Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)N)NC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=O)N(C3=CC=CC=C3S2)CC(=O)N)NC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H22N4O3S/c27-22(31)15-30-20-12-6-7-13-21(20)34-24(16-8-2-1-3-9-16)23(26(30)33)29-25(32)19-14-17-10-4-5-11-18(17)28-19/h1-14,23-24,28H,15H2,(H2,27,31)(H,29,32)