1-(2-cyanoethyl)-1-methyl-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-methyl-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(2-cyanoethyl)-1-methyl-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(2-cyanoethyl)-1-methyl-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-1-methyl-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-(4-phenoxyphenyl)thiourea Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CN(CCC#N)C(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C17H17N3OS/c1-20(13-5-12-18)17(22)19-14-8-10-16(11-9-14)21-15-6-3-2-4-7-15/h2-4,6-11H,5,13H2,1H3,(H,19,22)