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

Systemtic Name: methyl 5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H23N3O2S3 MolecularWeight: 457.63192

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=N2)NC(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H23N3O2S3/c1-12-9-10-15-16(11-12)30-22(23-15)25-21(28)24-19-18(20(26)27-3)17(13(2)29-19)14-7-5-4-6-8-14/h4-8,12H,9-11H2,1-3H3,(H2,23,24,25,28)