N-[2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylindol-1-yl]ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylindol-1-yl]ethyl]-4-nitro-benzamide Openeye Name: N-[2-[3-(2-amino-2-oxo-ethyl)sulfanylindol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-[3-[(2-amino-2-oxoethyl)thio]-1-indolyl]ethyl]-4-nitrobenzamide IUPAC Name: N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-4-nitrobenzamide Traditional Name: N-[2-[3-[(2-amino-2-keto-ethyl)thio]indol-1-yl]ethyl]-4-nitro-benzamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC(=O)N

InChI

InChI=1S/C19H18N4O4S/c20-18(24)12-28-17-11-22(16-4-2-1-3-15(16)17)10-9-21-19(25)13-5-7-14(8-6-13)23(26)27/h1-8,11H,9-10,12H2,(H2,20,24)(H,21,25)