ethyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(cyclohexylthiocarbamoylamino)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H28N4O2S3 MolecularWeight: 440.64622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=S)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=S)NC3CCCCC3

InChI

InChI=1S/C19H28N4O2S3/c1-2-25-17(24)15-13-10-6-7-11-14(13)28-16(15)21-19(27)23-22-18(26)20-12-8-4-3-5-9-12/h12H,2-11H2,1H3,(H2,20,22,26)(H2,21,23,27)