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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-pentylcarbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-pentylcarbamothioate CAS Name: N-pentylcarbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-pentylcarbamothioate Traditional Name: N-amylthiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O3S/c1-2-3-6-10-19-16(22)23-13-8-5-4-7-12(13)15(21)18-11-9-14(17)20/h4-5,7-8H,2-3,6,9-11H2,1H3,(H2,17,20)(H,18,21)(H,19,22)