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

Systemtic Name: methyl 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C28H23N3O2S3 MolecularWeight: 529.69612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C28H23N3O2S3/c1-17-8-13-23-24(14-17)36-25(30-23)19-9-11-20(12-10-19)29-28(34)31-26-22(27(32)33-2)16-21(35-26)15-18-6-4-3-5-7-18/h3-14,16H,15H2,1-2H3,(H2,29,31,34)