4-methyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[(3-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[(3-nitrobenzoyl)carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[(3-nitrobenzoyl)thiocarbamoylamino]thiophene-3-carboxamide Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O4S2/c1-12-16(10-13-6-3-2-4-7-13)31-20(17(12)18(22)26)24-21(30)23-19(27)14-8-5-9-15(11-14)25(28)29/h2-9,11H,10H2,1H3,(H2,22,26)(H2,23,24,27,30)