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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 3-methylbenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 3-methylbenzenecarbothioate CAS Name: 3-methylbenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 3-methylbenzenecarbothioate Traditional Name: 3-methylthiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N

InChI

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