1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[(4-chlorophenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[(4-chlorophenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[(4-chlorophenyl)methyl]thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-[(4-chlorophenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[(4-chlorophenyl)methyl]thiourea Traditional Name: 1-(4-chlorobenzyl)-3-(piperonyloylamino)thiourea Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NNC(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3O3S/c17-12-4-1-10(2-5-12)8-18-16(24)20-19-15(21)11-3-6-13-14(7-11)23-9-22-13/h1-7H,8-9H2,(H,19,21)(H2,18,20,24)