methyl 3-chloranyl-6-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[ethanoyl(methyl)amino]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[4-[acetyl(methyl)amino]anilino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[4-[acetyl(methyl)amino]phenyl]carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[4-[acetyl(methyl)amino]phenyl]thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S2/c1-11(25)24(2)14-7-4-12(5-8-14)22-20(28)23-13-6-9-15-16(10-13)29-18(17(15)21)19(26)27-3/h4-10H,1-3H3,(H2,22,23,28)