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

Systemtic Name: N-[5-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]pyridine-3-carboxamide Openeye Name: N-[5-(2-amino-2-oxo-ethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]pyridine-3-carboxamide CAS Name: N-[5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]-3-pyridinecarboxamide IUPAC Name: N-[5-(2-amino-2-oxoethyl)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]pyridine-3-carboxamide Traditional Name: N-[5-(2-amino-2-keto-ethyl)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-3-yl]nicotinamide Formula: C23H20N4O3S MolecularWeight: 432.4949

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O3S/c24-19(28)14-27-17-10-4-5-11-18(17)31-21(15-7-2-1-3-8-15)20(23(27)30)26-22(29)16-9-6-12-25-13-16/h1-13,20-21H,14H2,(H2,24,28)(H,26,29)