N-(2,6-dimethylphenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioamide Openeye Name: N-(2,6-dimethylphenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioamide CAS Name: N-(2,6-dimethylphenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,6-dimethylphenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbothioamide Traditional Name: N-(2,6-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(=CC=C1)C)NC(=S)N2CCN(CC2)CC(=O)N3CCCC3

Isomeric SMILES

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

InChI

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