1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]-3-phenyl-thiourea

Systemtic Name: 1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-3-phenyl-thiourea CAS Name: 1-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]-3-phenylthiourea IUPAC Name: 1-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-3-phenylthiourea Traditional Name: 1-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-3-phenyl-thiourea Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NNC(=S)NC3=CC=CC=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NNC(=S)NC3=CC=CC=C3)NC1=O

InChI

InChI=1S/C17H16N4O2S2/c22-15-8-9-25-14-7-6-11(10-13(14)19-15)16(23)20-21-17(24)18-12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,19,22)(H,20,23)(H2,18,21,24)