1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxo-4-phenyl-butanoyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1,4-dioxo-4-phenylbutyl)amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4-oxo-4-phenylbutanoyl)amino]thiourea Traditional Name: 1-[(4-keto-4-phenyl-butanoyl)amino]-3-piperonyl-thiourea Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=O)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4S/c23-15(14-4-2-1-3-5-14)7-9-18(24)21-22-19(27)20-11-13-6-8-16-17(10-13)26-12-25-16/h1-6,8,10H,7,9,11-12H2,(H,21,24)(H2,20,22,27)