N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-[3-(dimethylamino)-3-oxidanylidene-propyl]phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-[3-(dimethylamino)-3-oxo-propyl]phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-[3-(dimethylamino)-3-keto-propyl]phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)CCC(=O)N(C)C

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)CCC(=O)N(C)C

InChI

InChI=1S/C17H25N3O2S/c1-12(2)11-15(21)19-17(23)18-14-8-5-13(6-9-14)7-10-16(22)20(3)4/h5-6,8-9,12H,7,10-11H2,1-4H3,(H2,18,19,21,23)