S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-octylcarbamothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-octylcarbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-octylcarbamothioate CAS Name: N-octylcarbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-octylcarbamothioate Traditional Name: N-octylthiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

Isomeric SMILES

CCCCCCCCNC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

InChI

InChI=1S/C19H29N3O3S/c1-2-3-4-5-6-9-13-22-19(25)26-16-11-8-7-10-15(16)18(24)21-14-12-17(20)23/h7-8,10-11H,2-6,9,12-14H2,1H3,(H2,20,23)(H,21,24)(H,22,25)