S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NCC(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SC2=CC=CC=C2C(=O)NCC(=O)N)OC

InChI

InChI=1S/C18H18N2O5S/c1-24-13-8-7-11(9-14(13)25-2)18(23)26-15-6-4-3-5-12(15)17(22)20-10-16(19)21/h3-9H,10H2,1-2H3,(H2,19,21)(H,20,22)