N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[1-(2-methyl-5-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[1-[(2-methyl-5-nitro-phenyl)carbamoyl]propylthio]phenyl]cyclopropanecarboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)C3CC3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H23N3O4S/c1-3-19(21(26)23-18-12-16(24(27)28)10-7-13(18)2)29-17-6-4-5-15(11-17)22-20(25)14-8-9-14/h4-7,10-12,14,19H,3,8-9H2,1-2H3,(H,22,25)(H,23,26)