butyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: butyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid butyl ester Formula: C21H29N3O7S MolecularWeight: 467.53586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H29N3O7S/c1-5-6-9-31-17(25)12-14-20(27)22-7-8-24(14)21(32)23-19(26)13-10-15(28-2)18(30-4)16(11-13)29-3/h10-11,14H,5-9,12H2,1-4H3,(H,22,27)(H,23,26,32)