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

Systemtic Name: 1-(2-cyanoethyl)-3-methyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-methyl-thiourea CAS Name: 1-(2-cyanoethyl)-3-methyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-methylthiourea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-methyl-thiourea Formula: C12H15N3S MolecularWeight: 233.3326

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

CNC(=S)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C12H15N3S/c1-14-12(16)15(9-5-8-13)10-11-6-3-2-4-7-11/h2-4,6-7H,5,9-10H2,1H3,(H,14,16)