1-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(3,4-dimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(3,4-dimethoxyphenyl)methyl]thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(3,4-dimethoxyphenyl)methyl]thiourea CAS Name: 1-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-[(3,4-dimethoxyphenyl)methyl]thiourea IUPAC Name: 1-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3-[(3,4-dimethoxyphenyl)methyl]thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]propanoylamino]-3-veratryl-thiourea Formula: C19H22ClN3O3S2 MolecularWeight: 439.97928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCC1=CC(=C(C=C1)OC)OC)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)NNC(=S)NCC1=CC(=C(C=C1)OC)OC)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H22ClN3O3S2/c1-12(28-15-7-5-14(20)6-8-15)18(24)22-23-19(27)21-11-13-4-9-16(25-2)17(10-13)26-3/h4-10,12H,11H2,1-3H3,(H,22,24)(H2,21,23,27)