7-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c25-18-5-10-29-16-3-1-13(11-15(16)21-18)19(26)23-8-6-22(7-9-23)14-2-4-17(20-12-14)24(27)28/h1-4,11-12H,5-10H2,(H,21,25)