1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-(3,4-dimethylphenyl)thiourea

Systemtic Name: 1-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]-3-(3,4-dimethylphenyl)thiourea Openeye Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-(3,4-dimethylphenyl)thiourea CAS Name: 1-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-3-(3,4-dimethylphenyl)thiourea IUPAC Name: 1-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]-3-(3,4-dimethylphenyl)thiourea Traditional Name: 1-[(7-chloropiperonyloyl)amino]-3-(3,4-dimethylphenyl)thiourea Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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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)Cl)OCO3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3S/c1-9-3-4-12(5-10(9)2)19-17(25)21-20-16(22)11-6-13(18)15-14(7-11)23-8-24-15/h3-7H,8H2,1-2H3,(H,20,22)(H2,19,21,25)