S-[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl] 2-methoxybenzenecarbothioate

Systemtic Name: S-[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl] 2-methoxybenzenecarbothioate Openeye Name: S-[2-[(1-carbamoyl-2-methyl-propyl)carbamoyl]phenyl] 2-methoxybenzenecarbothioate CAS Name: 2-methoxybenzenecarbothioic acid S-[2-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]phenyl] 2-methoxybenzenecarbothioate Traditional Name: 2-methoxythiobenzoic acid S-[2-[(1-carbamoyl-2-methyl-propyl)carbamoyl]phenyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)C(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C20H22N2O4S/c1-12(2)17(18(21)23)22-19(24)14-9-5-7-11-16(14)27-20(25)13-8-4-6-10-15(13)26-3/h4-12,17H,1-3H3,(H2,21,23)(H,22,24)