1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenethylcarbamothioyl)amino]ethyl]-3-phenethyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenethylcarbamothioyl)amino]ethyl]-3-phenethyl-thiourea Openeye Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenethylcarbamothioyl)amino]ethyl]-3-phenethyl-thiourea CAS Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl-[(phenethylamino)-sulfanylidenemethyl]amino]ethyl]-3-phenethylthiourea IUPAC Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenethylcarbamothioyl)amino]ethyl]-3-phenethylthiourea Traditional Name: 1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(phenethylthiocarbamoyl)amino]ethyl]-3-phenethyl-thiourea Formula: C26H32N6S2 MolecularWeight: 492.70248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)N(CCC#N)CCN(CCC#N)C(=S)NCCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)N(CCC#N)CCN(CCC#N)C(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C26H32N6S2/c27-15-7-19-31(25(33)29-17-13-23-9-3-1-4-10-23)21-22-32(20-8-16-28)26(34)30-18-14-24-11-5-2-6-12-24/h1-6,9-12H,7-8,13-14,17-22H2,(H,29,33)(H,30,34)