S-[(2E)-2-(4-methylphenyl)sulfonylimino-2-(naphthalen-1-ylamino)ethyl] carbamothioate

Systemtic Name: S-[(2E)-2-(4-methylphenyl)sulfonylimino-2-(naphthalen-1-ylamino)ethyl] carbamothioate Openeye Name: S-[(2E)-2-(1-naphthylamino)-2-(p-tolylsulfonylimino)ethyl] carbamothioate CAS Name: carbamothioic acid S-[(2E)-2-(4-methylphenyl)sulfonylimino-2-(1-naphthalenylamino)ethyl] ester IUPAC Name: S-[(2E)-2-(4-methylphenyl)sulfonylimino-2-(naphthalen-1-ylamino)ethyl] carbamothioate Traditional Name: thiocarbamic acid S-[(2E)-2-(1-naphthylamino)-2-tosylimino-ethyl] ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(CSC(=O)N)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\CSC(=O)N)/NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C20H19N3O3S2/c1-14-9-11-16(12-10-14)28(25,26)23-19(13-27-20(21)24)22-18-8-4-6-15-5-2-3-7-17(15)18/h2-12H,13H2,1H3,(H2,21,24)(H,22,23)