N'-(2-cyclohexylethyl)-N-(methylcarbamothioyl)-N'-(2-phenylpropyl)butanediamide

Systemtic Name: N'-(2-cyclohexylethyl)-N-(methylcarbamothioyl)-N'-(2-phenylpropyl)butanediamide Openeye Name: N'-(2-cyclohexylethyl)-N-(methylcarbamothioyl)-N'-(2-phenylpropyl)butanediamide CAS Name: N'-(2-cyclohexylethyl)-N-[methylamino(sulfanylidene)methyl]-N'-(2-phenylpropyl)butanediamide IUPAC Name: N'-(2-cyclohexylethyl)-N-(methylcarbamothioyl)-N'-(2-phenylpropyl)butanediamide Traditional Name: N'-(2-cyclohexylethyl)-N-(methylthiocarbamoyl)-N'-(2-phenylpropyl)succinamide Formula: C23H35N3O2S MolecularWeight: 417.6079

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CCC1CCCCC1)C(=O)CCC(=O)NC(=S)NC)C2=CC=CC=C2

Isomeric SMILES

CC(CN(CCC1CCCCC1)C(=O)CCC(=O)NC(=S)NC)C2=CC=CC=C2

InChI

InChI=1S/C23H35N3O2S/c1-18(20-11-7-4-8-12-20)17-26(16-15-19-9-5-3-6-10-19)22(28)14-13-21(27)25-23(29)24-2/h4,7-8,11-12,18-19H,3,5-6,9-10,13-17H2,1-2H3,(H2,24,25,27,29)