ethyl 4-[(3-pyrrolidin-1-ylcarbonylpiperidin-1-yl)carbothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-pyrrolidin-1-ylcarbonylpiperidin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[[3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[3-[oxo(1-pyrrolidinyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)C(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O3S/c1-2-26-19(25)15-7-9-17(10-8-15)21-20(27)23-13-5-6-16(14-23)18(24)22-11-3-4-12-22/h7-10,16H,2-6,11-14H2,1H3,(H,21,27)