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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloranyl-3-methyl-phenyl)-1-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(4-chloro-3-methyl-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-chloro-3-methylphenyl)-1-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(4-chloro-3-methylphenyl)thiourea Traditional Name: 1-benzyl-3-(4-chloro-3-methyl-phenyl)-1-piperonyl-thiourea Formula: C23H21ClN2O2S MolecularWeight: 424.94304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C23H21ClN2O2S/c1-16-11-19(8-9-20(16)24)25-23(29)26(13-17-5-3-2-4-6-17)14-18-7-10-21-22(12-18)28-15-27-21/h2-12H,13-15H2,1H3,(H,25,29)