N-(3-methylsulfanylphenyl)-3-nitro-4-[(phenylmethyl)amino]benzamide

Systemtic Name: N-(3-methylsulfanylphenyl)-3-nitro-4-[(phenylmethyl)amino]benzamide Openeye Name: 4-(benzylamino)-N-(3-methylsulfanylphenyl)-3-nitro-benzamide CAS Name: N-[3-(methylthio)phenyl]-3-nitro-4-[(phenylmethyl)amino]benzamide IUPAC Name: 4-(benzylamino)-N-(3-methylsulfanylphenyl)-3-nitrobenzamide Traditional Name: 4-(benzylamino)-N-[3-(methylthio)phenyl]-3-nitro-benzamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O3S/c1-28-18-9-5-8-17(13-18)23-21(25)16-10-11-19(20(12-16)24(26)27)22-14-15-6-3-2-4-7-15/h2-13,22H,14H2,1H3,(H,23,25)