1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(5-chloranyl-2-methyl-phenyl)-1-(2-cyanoethyl)thiourea

Systemtic Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(5-chloranyl-2-methyl-phenyl)-1-(2-cyanoethyl)thiourea Openeye Name: 1-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-3-(5-chloro-2-methyl-phenyl)-1-(2-cyanoethyl)thiourea CAS Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(5-chloro-2-methylphenyl)-1-(2-cyanoethyl)thiourea IUPAC Name: 1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(5-chloro-2-methylphenyl)-1-(2-cyanoethyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(2-cyanoethyl)-1-[(E)-piperonylideneamino]thiourea Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC#N)N=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N(CCC#N)/N=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H17ClN4O2S/c1-13-3-5-15(20)10-16(13)23-19(27)24(8-2-7-21)22-11-14-4-6-17-18(9-14)26-12-25-17/h3-6,9-11H,2,8,12H2,1H3,(H,23,27)/b22-11+