methyl 2-[[[3-(dimethylamino)phenyl]carbonylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[[3-(dimethylamino)phenyl]carbonylamino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[3-(dimethylamino)benzoyl]amino]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[[3-(dimethylamino)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[3-(dimethylamino)benzoyl]amino]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[3-(dimethylamino)benzoyl]amino]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=CC=C2)N(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=CC=C2)N(C)C)C(=O)OC

InChI

InChI=1S/C17H20N4O3S2/c1-10-8-13(16(23)24-4)15(26-10)18-17(25)20-19-14(22)11-6-5-7-12(9-11)21(2)3/h5-9H,1-4H3,(H,19,22)(H2,18,20,25)