1-benzamido-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-benzamido-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-benzamido-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-benzamido-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-benzamido-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-benzamido-3-homoveratryl-thiourea Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C18H21N3O3S/c1-23-15-9-8-13(12-16(15)24-2)10-11-19-18(25)21-20-17(22)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,22)(H2,19,21,25)