1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-4,6-dimethyl-phenyl)-1-methyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-4,6-dimethyl-phenyl)-1-methyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4,6-dimethyl-phenyl)-1-methyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4,6-dimethylphenyl)-1-methylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-4,6-dimethylphenyl)-1-methylthiourea Traditional Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-methyl-1-piperonyl-thiourea Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2S/c1-11-6-12(2)17(14(19)7-11)20-18(24)21(3)9-13-4-5-15-16(8-13)23-10-22-15/h4-8H,9-10H2,1-3H3,(H,20,24)