[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] N-phenylmorpholine-4-carboximidothioate CAS Name: N-phenyl-4-morpholinecarboximidothioic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate Traditional Name: N-phenylmorpholine-4-carboximidothioic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H24N4O3S/c1-16(26)22-18-7-9-19(10-8-18)23-20(27)15-29-21(25-11-13-28-14-12-25)24-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,22,26)(H,23,27)