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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-hexylcarbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-hexylcarbamothioate CAS Name: N-hexylcarbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-hexylcarbamothioate Traditional Name: N-hexylthiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S/c1-2-3-4-7-11-20-17(23)24-14-9-6-5-8-13(14)16(22)19-12-10-15(18)21/h5-6,8-9H,2-4,7,10-12H2,1H3,(H2,18,21)(H,19,22)(H,20,23)