3-cyclohexyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]propanamide

Systemtic Name: 3-cyclohexyl-N-[[3-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]propanamide Openeye Name: 3-cyclohexyl-N-[[3-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]propanamide CAS Name: 3-cyclohexyl-N-[[3-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-cyclohexyl-N-[[3-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]propanamide Traditional Name: 3-cyclohexyl-N-[[3-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]propionamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

CN(C)C(=O)CCC1=CC(=CC=C1)NC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C21H31N3O2S/c1-24(2)20(26)14-12-17-9-6-10-18(15-17)22-21(27)23-19(25)13-11-16-7-4-3-5-8-16/h6,9-10,15-16H,3-5,7-8,11-14H2,1-2H3,(H2,22,23,25,27)