N-(3,4-dimethylphenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-4-(2-keto-2-pyrrolidino-ethyl)piperazine-1-carbothioamide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)CC(=O)N3CCCC3)C

InChI

InChI=1S/C19H28N4OS/c1-15-5-6-17(13-16(15)2)20-19(25)23-11-9-21(10-12-23)14-18(24)22-7-3-4-8-22/h5-6,13H,3-4,7-12,14H2,1-2H3,(H,20,25)