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

Systemtic Name: 1-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]thiourea CAS Name: 1-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]thiourea Traditional Name: 1-benzyl-3-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]thiourea Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3)NC1=O

InChI

InChI=1S/C18H18N4O2S2/c23-16-8-9-26-15-7-6-13(10-14(15)20-16)17(24)21-22-18(25)19-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,23)(H,21,24)(H2,19,22,25)