(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[4-(4-methylpiperazino)-3-nitro-phenyl]methanone Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3S/c1-16-9-10-25(19-5-3-4-6-21(19)30-16)22(27)17-7-8-18(20(15-17)26(28)29)24-13-11-23(2)12-14-24/h3-8,15-16H,9-14H2,1-2H3