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

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-6-methyl-phenyl] 2-methylbenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-6-methyl-phenyl] 2-methylbenzenecarbothioate CAS Name: 2-methylbenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-6-methylphenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-6-methylphenyl] 2-methylbenzenecarbothioate Traditional Name: 2-methylthiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-6-methyl-phenyl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)SC2=C(C=CC=C2C)C(=O)NCCC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(=O)SC2=C(C=CC=C2C)C(=O)NCCC(=O)N

InChI

InChI=1S/C19H20N2O3S/c1-12-6-3-4-8-14(12)19(24)25-17-13(2)7-5-9-15(17)18(23)21-11-10-16(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22)(H,21,23)