3,5-bis(methylsulfanyl)-N-[(2-nitrophenyl)carbamoyl]-1,2-thiazole-4-carboxamide

Systemtic Name: 3,5-bis(methylsulfanyl)-N-[(2-nitrophenyl)carbamoyl]-1,2-thiazole-4-carboxamide Openeye Name: 3,5-bis(methylsulfanyl)-N-[(2-nitrophenyl)carbamoyl]isothiazole-4-carboxamide CAS Name: 3,5-bis(methylthio)-N-[(2-nitroanilino)-oxomethyl]-4-isothiazolecarboxamide IUPAC Name: 3,5-bis(methylsulfanyl)-N-[(2-nitrophenyl)carbamoyl]-1,2-thiazole-4-carboxamide Traditional Name: 3,5-bis(methylthio)-N-[(2-nitrophenyl)carbamoyl]isothiazole-4-carboxamide Formula: C13H12N4O4S3 MolecularWeight: 384.45378

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NS1)SC)C(=O)NC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C(=NS1)SC)C(=O)NC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S3/c1-22-11-9(12(23-2)24-16-11)10(18)15-13(19)14-7-5-3-4-6-8(7)17(20)21/h3-6H,1-2H3,(H2,14,15,18,19)