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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-propan-2-ylcarbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-isopropylcarbamothioate CAS Name: N-propan-2-ylcarbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-propan-2-ylcarbamothioate Traditional Name: N-isopropylthiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

Isomeric SMILES

CC(C)NC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

InChI

InChI=1S/C14H19N3O3S/c1-9(2)17-14(20)21-11-6-4-3-5-10(11)13(19)16-8-7-12(15)18/h3-6,9H,7-8H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)