N-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

Systemtic Name: N-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide Openeye Name: N-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]-3,5-bis(methylsulfanyl)isothiazole-4-carboxamide CAS Name: N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]-3,5-bis(methylthio)-4-isothiazolecarboxamide IUPAC Name: N-[2-[(4-methyl-3-nitrophenyl)sulfonylamino]ethyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide Traditional Name: N-[2-[(4-methyl-3-nitro-phenyl)sulfonylamino]ethyl]-3,5-bis(methylthio)isothiazole-4-carboxamide Formula: C15H18N4O5S4 MolecularWeight: 462.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCNC(=O)C2=C(SN=C2SC)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCNC(=O)C2=C(SN=C2SC)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O5S4/c1-9-4-5-10(8-11(9)19(21)22)28(23,24)17-7-6-16-13(20)12-14(25-2)18-27-15(12)26-3/h4-5,8,17H,6-7H2,1-3H3,(H,16,20)