N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide

Systemtic Name: N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-benzamide Openeye Name: N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylsulfanyl-3-nitro-benzoyl)benzamide CAS Name: N-[3-(cyclopropylmethoxy)propyl]-2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzamide IUPAC Name: N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylsulfanyl-3-nitrobenzoyl)benzamide Traditional Name: N-[3-(cyclopropylmethoxy)propyl]-2-[4-(methylthio)-3-nitro-benzoyl]benzamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCCCOCC3CC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCCCOCC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5S/c1-30-20-10-9-16(13-19(20)24(27)28)21(25)17-5-2-3-6-18(17)22(26)23-11-4-12-29-14-15-7-8-15/h2-3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1H3,(H,23,26)