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

Systemtic Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [4-(cyclopropylamino)-3-nitrophenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [4-(cyclopropylamino)-3-nitrophenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [4-(cyclopropylamino)-3-nitro-phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c1-13-10-11-22(17-4-2-3-5-19(17)27-13)20(24)14-6-9-16(21-15-7-8-15)18(12-14)23(25)26/h2-6,9,12-13,15,21H,7-8,10-11H2,1H3