methyl 2-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(4-carbamoyl-1-piperidinyl)-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N)OC

InChI

InChI=1S/C17H23N3O5S/c1-23-13-8-11(16(22)25-3)12(9-14(13)24-2)19-17(26)20-6-4-10(5-7-20)15(18)21/h8-10H,4-7H2,1-3H3,(H2,18,21)(H,19,26)