ethyl 2-[2-[(2-methylphenyl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(2-methylphenyl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(2-methylbenzoyl)carbamothioylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[[(2-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-methylbenzoyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(o-toluoylthiocarbamoylamino)thiazol-4-yl]acetic acid ethyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C16H17N3O3S2/c1-3-22-13(20)8-11-9-24-16(17-11)19-15(23)18-14(21)12-7-5-4-6-10(12)2/h4-7,9H,3,8H2,1-2H3,(H2,17,18,19,21,23)