1-(2-cyanoethyl)-1-[1-cyano-2-(phenylcarbamothioylamino)ethyl]-3-phenyl-thiourea

Systemtic Name: 1-(2-cyanoethyl)-1-[1-cyano-2-(phenylcarbamothioylamino)ethyl]-3-phenyl-thiourea Openeye Name: 1-(2-cyanoethyl)-1-[1-cyano-2-(phenylcarbamothioylamino)ethyl]-3-phenyl-thiourea CAS Name: 1-[2-[[anilino(sulfanylidene)methyl]amino]-1-cyanoethyl]-1-(2-cyanoethyl)-3-phenylthiourea IUPAC Name: 1-(2-cyanoethyl)-1-[1-cyano-2-(phenylcarbamothioylamino)ethyl]-3-phenylthiourea Traditional Name: 1-(2-cyanoethyl)-1-[1-cyano-2-(phenylthiocarbamoylamino)ethyl]-3-phenyl-thiourea Formula: C20H20N6S2 MolecularWeight: 408.543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6S2/c21-12-7-13-26(20(28)25-17-10-5-2-6-11-17)18(14-22)15-23-19(27)24-16-8-3-1-4-9-16/h1-6,8-11,18H,7,13,15H2,(H,25,28)(H2,23,24,27)