methyl 3-chloranyl-6-[(cyclohexylcarbamothioylamino)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(cyclohexylcarbamothioylamino)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(cyclohexylcarbamothioylamino)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(cyclohexylcarbamothioylamino)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(cyclohexylthiocarbamoylamino)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H21ClN4O2S3 MolecularWeight: 457.03294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=S)NC3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=S)NC3CCCCC3)Cl

InChI

InChI=1S/C18H21ClN4O2S3/c1-25-16(24)15-14(19)12-8-7-11(9-13(12)28-15)21-18(27)23-22-17(26)20-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,20,22,26)(H2,21,23,27)