S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,4,6-trimethylbenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,4,6-trimethylbenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 2,4,6-trimethylbenzenecarbothioate CAS Name: 2,4,6-trimethylbenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 2,4,6-trimethylbenzenecarbothioate Traditional Name: 2,4,6-trimethylthiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-12-10-13(2)18(14(3)11-12)20(25)26-16-7-5-4-6-15(16)19(24)22-9-8-17(21)23/h4-7,10-11H,8-9H2,1-3H3,(H2,21,23)(H,22,24)