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

Systemtic Name: methyl 6-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O4S2/c1-14-7-12-18-20(13-14)33-22(21(18)23(28)31-2)26-24(32)25-16-10-8-15(9-11-16)17-5-3-4-6-19(17)27(29)30/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,25,26,32)