1-[[2-cyano-2-(3,4-dimethoxyphenyl)ethanoyl]amino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[2-cyano-2-(3,4-dimethoxyphenyl)ethanoyl]amino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[2-cyano-2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea CAS Name: 1-[[2-cyano-2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[2-cyano-2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea Traditional Name: 1-benzyl-3-[[2-cyano-2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)C(=O)NNC(=S)NCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)C(=O)NNC(=S)NCC2=CC=CC=C2)OC

InChI

InChI=1S/C19H20N4O3S/c1-25-16-9-8-14(10-17(16)26-2)15(11-20)18(24)22-23-19(27)21-12-13-6-4-3-5-7-13/h3-10,15H,12H2,1-2H3,(H,22,24)(H2,21,23,27)