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

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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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)NCC(=O)N

Isomeric SMILES

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

InChI

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