1-(1,3-benzodioxol-5-ylcarbonylamino)-3-(3-chloranyl-4-methyl-phenyl)thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-9-2-4-11(7-12(9)17)18-16(24)20-19-15(21)10-3-5-13-14(6-10)23-8-22-13/h2-7H,8H2,1H3,(H,19,21)(H2,18,20,24)