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

Systemtic Name: methyl 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19ClN2O3S2 MolecularWeight: 446.97016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H19ClN2O3S2/c1-26-18-9-8-14(11-17(18)22)23-21(28)24-19-16(20(25)27-2)12-15(29-19)10-13-6-4-3-5-7-13/h3-9,11-12H,10H2,1-2H3,(H2,23,24,28)