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

Systemtic Name: 1-[[2-cyano-2-(3,4-dimethoxyphenyl)ethanoyl]amino]-3-phenyl-thiourea Openeye Name: 1-[[2-cyano-2-(3,4-dimethoxyphenyl)acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-cyano-2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-cyano-2-(3,4-dimethoxyphenyl)acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-cyano-2-(3,4-dimethoxyphenyl)acetyl]amino]-3-phenyl-thiourea Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C#N)C(=O)NNC(=S)NC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C#N)C(=O)NNC(=S)NC2=CC=CC=C2)OC

InChI

InChI=1S/C18H18N4O3S/c1-24-15-9-8-12(10-16(15)25-2)14(11-19)17(23)21-22-18(26)20-13-6-4-3-5-7-13/h3-10,14H,1-2H3,(H,21,23)(H2,20,22,26)