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

Systemtic Name: N-(3,4-dichlorophenyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioamide Openeye Name: N-(3,4-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazine-1-carbothioamide CAS Name: N-(3,4-dichlorophenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,4-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbothioamide Traditional Name: N-(3,4-dichlorophenyl)-4-(2-keto-2-pyrrolidino-ethyl)piperazine-1-carbothioamide Formula: C17H22Cl2N4OS MolecularWeight: 401.35378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H22Cl2N4OS/c18-14-4-3-13(11-15(14)19)20-17(25)23-9-7-21(8-10-23)12-16(24)22-5-1-2-6-22/h3-4,11H,1-2,5-10,12H2,(H,20,25)