N-[3-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethanamide Openeye Name: N-[3-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide CAS Name: N-[3-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide IUPAC Name: N-[3-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide Traditional Name: N-[3-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O3S/c1-15(27)24-18-8-4-6-16(12-18)21-14-23(17-7-5-9-19(13-17)26(28)29)30-22-11-3-2-10-20(22)25-21/h2-13,23H,14H2,1H3,(H,24,27)