S-[2-(2-aminophenyl)ethyl] 4-nitro-2-prop-2-enyl-benzenecarbothioate

Systemtic Name: S-[2-(2-aminophenyl)ethyl] 4-nitro-2-prop-2-enyl-benzenecarbothioate Openeye Name: S-[2-(2-aminophenyl)ethyl] 2-allyl-4-nitro-benzenecarbothioate CAS Name: 4-nitro-2-prop-2-enylbenzenecarbothioic acid S-[2-(2-aminophenyl)ethyl] ester IUPAC Name: S-[2-(2-aminophenyl)ethyl] 4-nitro-2-prop-2-enylbenzenecarbothioate Traditional Name: 2-allyl-4-nitro-thiobenzoic acid S-[2-(2-aminophenyl)ethyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)SCCC2=CC=CC=C2N

Isomeric SMILES

C=CCC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)SCCC2=CC=CC=C2N

InChI

InChI=1S/C18H18N2O3S/c1-2-5-14-12-15(20(22)23)8-9-16(14)18(21)24-11-10-13-6-3-4-7-17(13)19/h2-4,6-9,12H,1,5,10-11,19H2