7-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])NC1=O

InChI

InChI=1S/C20H20N4O4S/c25-19-7-12-29-18-6-1-14(13-17(18)21-19)20(26)23-10-8-22(9-11-23)15-2-4-16(5-3-15)24(27)28/h1-6,13H,7-12H2,(H,21,25)