ethyl 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3-chloro-4-methoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H21ClN2O3S2 MolecularWeight: 460.99674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C22H21ClN2O3S2/c1-3-28-21(26)17-13-16(11-14-7-5-4-6-8-14)30-20(17)25-22(29)24-15-9-10-19(27-2)18(23)12-15/h4-10,12-13H,3,11H2,1-2H3,(H2,24,25,29)