methyl 2-[[(5-ethylthiophen-3-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(5-ethylthiophen-3-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(5-ethylthiophene-3-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(5-ethyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-ethylthiophene-3-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(5-ethylthiophene-3-carbonyl)amino]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CS1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCC1=CC(=CS1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C18H21N3O3S3/c1-3-11-8-10(9-26-11)15(22)20-21-18(25)19-16-14(17(23)24-2)12-6-4-5-7-13(12)27-16/h8-9H,3-7H2,1-2H3,(H,20,22)(H2,19,21,25)