1-(2-cyanoethyl)-1-methyl-3-phenethyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-methyl-3-phenethyl-thiourea Openeye Name: 1-(2-cyanoethyl)-1-methyl-3-phenethyl-thiourea CAS Name: 1-(2-cyanoethyl)-1-methyl-3-phenethylthiourea IUPAC Name: 1-(2-cyanoethyl)-1-methyl-3-phenethylthiourea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-phenethyl-thiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NCCC1=CC=CC=C1

Isomeric SMILES

CN(CCC#N)C(=S)NCCC1=CC=CC=C1

InChI

InChI=1S/C13H17N3S/c1-16(11-5-9-14)13(17)15-10-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8,10-11H2,1H3,(H,15,17)