methyl 5-methyl-4-phenyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-4-phenyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-phenyl-2-[(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[(4,5,6,7-tetrahydrobenzothiophene-3-carbonylamino)thiocarbamoylamino]thiophene-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(=C(S1)NC(=S)NNC(=O)C2=CSC3=C2CCCC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NNC(=O)C2=CSC3=C2CCCC3)C(=O)OC)C4=CC=CC=C4

InChI

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