4-(3-methylbutylsulfanyl)-3-nitro-N-(phenylmethyl)benzamide

Systemtic Name: 4-(3-methylbutylsulfanyl)-3-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: 4-(3-methylbutylthio)-3-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-benzyl-4-(isoamylthio)-3-nitro-benzamide Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O3S/c1-14(2)10-11-25-18-9-8-16(12-17(18)21(23)24)19(22)20-13-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,22)