S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-chloranyl-phenyl] N-propan-2-ylcarbamothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-chloranyl-phenyl] N-propan-2-ylcarbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-4-chloro-phenyl] N-isopropylcarbamothioate CAS Name: N-propan-2-ylcarbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-4-chlorophenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-4-chlorophenyl] N-propan-2-ylcarbamothioate Traditional Name: N-isopropylthiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-4-chloro-phenyl] ester Formula: C14H18ClN3O3S MolecularWeight: 343.82902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)SC1=C(C=C(C=C1)Cl)C(=O)NCCC(=O)N

Isomeric SMILES

CC(C)NC(=O)SC1=C(C=C(C=C1)Cl)C(=O)NCCC(=O)N

InChI

InChI=1S/C14H18ClN3O3S/c1-8(2)18-14(21)22-11-4-3-9(15)7-10(11)13(20)17-6-5-12(16)19/h3-4,7-8H,5-6H2,1-2H3,(H2,16,19)(H,17,20)(H,18,21)