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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-butylcarbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-2-3-9-18-15(21)22-12-7-5-4-6-11(12)14(20)17-10-8-13(16)19/h4-7H,2-3,8-10H2,1H3,(H2,16,19)(H,17,20)(H,18,21)