1-(2-cyanoethyl)-3-phenyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-phenyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-phenyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-phenyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-phenylthiourea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-phenyl-thiourea Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC#N)C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C17H17N3S/c18-12-7-13-20(14-15-8-3-1-4-9-15)17(21)19-16-10-5-2-6-11-16/h1-6,8-11H,7,13-14H2,(H,19,21)