methyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylcarbamothioylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 4-cyano-5-[(3,6-dichlorobenzothiophene-2-carbonyl)carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-5-[(3,6-dichloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[(3,6-dichlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C18H11Cl2N3O3S3 MolecularWeight: 484.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C18H11Cl2N3O3S3/c1-7-10(6-21)16(29-13(7)17(25)26-2)23-18(27)22-15(24)14-12(20)9-4-3-8(19)5-11(9)28-14/h3-5H,1-2H3,(H2,22,23,24,27)