N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[3-[1-[(4-nitrophenyl)carbamoyl]propylsulfanyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[1-[(4-nitrophenyl)carbamoyl]propylthio]phenyl]cyclopropanecarboxamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-2-18(20(25)21-14-8-10-16(11-9-14)23(26)27)28-17-5-3-4-15(12-17)22-19(24)13-6-7-13/h3-5,8-13,18H,2,6-7H2,1H3,(H,21,25)(H,22,24)