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

Systemtic Name: methyl 2-[[(5-methyl-4-phenyl-thiophen-3-yl)carbonylamino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(5-methyl-4-phenyl-thiophene-3-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(5-methyl-4-phenyl-3-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-methyl-4-phenylthiophene-3-carbonyl)amino]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(5-methyl-4-phenyl-thiophene-3-carbonyl)amino]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H23N3O3S3 MolecularWeight: 485.64202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CS1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CS1)C(=O)NNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S3/c1-13-18(14-8-4-3-5-9-14)16(12-31-13)20(27)25-26-23(30)24-21-19(22(28)29-2)15-10-6-7-11-17(15)32-21/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,25,27)(H2,24,26,30)