2-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)carbonylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[(4-chloro-3-nitro-benzoyl)carbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[(4-chloro-3-nitrobenzoyl)carbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[(4-chloro-3-nitro-benzoyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C21H17ClN4O4S2 MolecularWeight: 488.96708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O4S2/c1-11-16(9-12-5-3-2-4-6-12)32-20(17(11)18(23)27)25-21(31)24-19(28)13-7-8-14(22)15(10-13)26(29)30/h2-8,10H,9H2,1H3,(H2,23,27)(H2,24,25,28,31)