methyl 6-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[1-(4-sec-butylphenyl)propylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 6-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[1-(4-sec-butylphenyl)propylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H27ClN2O2S2 MolecularWeight: 475.06638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(CC)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C24H27ClN2O2S2/c1-5-14(3)15-7-9-16(10-8-15)19(6-2)27-24(30)26-17-11-12-18-20(13-17)31-22(21(18)25)23(28)29-4/h7-14,19H,5-6H2,1-4H3,(H2,26,27,30)