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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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