N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoyl]cyclohexanecarboxamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2CCCCC2

Isomeric SMILES

CNC(=O)CC1=CC=C(C=C1)NC(=S)NC(=O)C2CCCCC2

InChI

InChI=1S/C17H23N3O2S/c1-18-15(21)11-12-7-9-14(10-8-12)19-17(23)20-16(22)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,21)(H2,19,20,22,23)