dimethyl 3-methyl-5-(naphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(naphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(1-naphthylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(naphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1-naphthylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H18N2O4S2 MolecularWeight: 414.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H18N2O4S2/c1-11-15(18(23)25-2)17(28-16(11)19(24)26-3)22-20(27)21-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,1-3H3,(H2,21,22,27)