S-[4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] benzenecarbothioate

Systemtic Name: S-[4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] benzenecarbothioate Openeye Name: S-[4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-methyl-4-[[(4-nitrophenyl)methoxy-oxomethyl]amino]pentyl] ester IUPAC Name: S-[4-methyl-4-[(4-nitrophenyl)methoxycarbonylamino]pentyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[4-methyl-4-[(4-nitrobenzyl)oxycarbonylamino]pentyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCSC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(CCCSC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-21(2,13-6-14-29-19(24)17-7-4-3-5-8-17)22-20(25)28-15-16-9-11-18(12-10-16)23(26)27/h3-5,7-12H,6,13-15H2,1-2H3,(H,22,25)