methyl 4-(2-methylpropyl)-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2-methylpropyl)-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-isobutyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-methylpropyl)-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[(4-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CSC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S2/c1-10(2)8-11-9-26-15(14(11)16(21)24-3)19-17(25)18-12-4-6-13(7-5-12)20(22)23/h4-7,9-10H,8H2,1-3H3,(H2,18,19,25)