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

Systemtic Name: diethyl 3-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H25N3O4S3 MolecularWeight: 539.6894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C26H25N3O4S3/c1-5-32-24(30)20-15(4)21(25(31)33-6-2)36-23(20)29-26(34)27-17-10-8-16(9-11-17)22-28-18-12-7-14(3)13-19(18)35-22/h7-13H,5-6H2,1-4H3,(H2,27,29,34)