methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O4S3 MolecularWeight: 495.67836

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H29N3O4S3/c1-4-18-15(2)31-20(19(18)21(26)29-3)24-22(30)23-16-9-11-17(12-10-16)32(27,28)25-13-7-5-6-8-14-25/h9-12H,4-8,13-14H2,1-3H3,(H2,23,24,30)