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

Systemtic Name: methyl 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H21N3O2S3 MolecularWeight: 515.66954

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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)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)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C27H21N3O2S3/c1-16-8-13-21-23(14-16)35-24(29-21)18-9-11-19(12-10-18)28-27(33)30-25-20(26(31)32-2)15-22(34-25)17-6-4-3-5-7-17/h3-15H,1-2H3,(H2,28,30,33)