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

Systemtic Name: methyl 5-methyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]-4-phenyl-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)C)C5=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)C)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C28H23N3O2S3/c1-16-9-14-21-22(15-16)36-25(30-21)19-10-12-20(13-11-19)29-28(34)31-26-24(27(32)33-3)23(17(2)35-26)18-7-5-4-6-8-18/h4-15H,1-3H3,(H2,29,31,34)