1,1-bis(2-cyanoethyl)-3-(phenylmethyl)thiourea

Systemtic Name: 1,1-bis(2-cyanoethyl)-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1,1-bis(2-cyanoethyl)thiourea CAS Name: 1,1-bis(2-cyanoethyl)-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1,1-bis(2-cyanoethyl)thiourea Traditional Name: 3-benzyl-1,1-bis(2-cyanoethyl)thiourea Formula: C14H16N4S MolecularWeight: 272.36864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4S/c15-8-4-10-18(11-5-9-16)14(19)17-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,10-12H2,(H,17,19)