S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-21(2,3)15-10-8-14(9-11-15)20(26)27-17-7-5-4-6-16(17)19(25)23-13-12-18(22)24/h4-11H,12-13H2,1-3H3,(H2,22,24)(H,23,25)