S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate CAS Name: 2,4,5-trimethoxybenzenecarbothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate Traditional Name: 2,4,5-trimethoxythiobenzoic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)SC2=CC=CC=C2C(=O)NCCC(=O)N)OC)OC

InChI

InChI=1S/C20H22N2O6S/c1-26-14-11-16(28-3)15(27-2)10-13(14)20(25)29-17-7-5-4-6-12(17)19(24)22-9-8-18(21)23/h4-7,10-11H,8-9H2,1-3H3,(H2,21,23)(H,22,24)