ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-2-methyl-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-2-methylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H23ClN2O4S2 MolecularWeight: 503.03342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CC2=CC3=C(C=C2)OCO3)C)NC(=S)NC4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C24H23ClN2O4S2/c1-4-29-23(28)21-16(10-15-8-9-19-20(11-15)31-12-30-19)14(3)33-22(21)27-24(32)26-18-7-5-6-17(25)13(18)2/h5-9,11H,4,10,12H2,1-3H3,(H2,26,27,32)