methyl 4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C21H14ClN3O3S3 MolecularWeight: 488.00216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H14ClN3O3S3/c1-28-19(27)12-8-6-11(7-9-12)14-10-30-21(23-14)25-20(29)24-18(26)17-16(22)13-4-2-3-5-15(13)31-17/h2-10H,1H3,(H2,23,24,25,26,29)