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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]-3-piperonyl-thiourea Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4)NC1=O

InChI

InChI=1S/C19H18N4O4S2/c24-17-5-6-29-16-4-2-12(8-13(16)21-17)18(25)22-23-19(28)20-9-11-1-3-14-15(7-11)27-10-26-14/h1-4,7-8H,5-6,9-10H2,(H,21,24)(H,22,25)(H2,20,23,28)