S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-6-methyl-phenyl] benzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-6-methyl-phenyl] benzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-6-methyl-phenyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-6-methylphenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-6-methylphenyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-6-methyl-phenyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SC(=O)C2=CC=CC=C2)C(=O)NCCC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1SC(=O)C2=CC=CC=C2)C(=O)NCCC(=O)N

InChI

InChI=1S/C18H18N2O3S/c1-12-6-5-9-14(17(22)20-11-10-15(19)21)16(12)24-18(23)13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H2,19,21)(H,20,22)