[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylmorpholine-4-carboximidothioate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl] N-phenylmorpholine-4-carboximidothioate CAS Name: N-phenyl-4-morpholinecarboximidothioic acid [2-(2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxoethyl] N-phenylmorpholine-4-carboximidothioate Traditional Name: N-phenylmorpholine-4-carboximidothioic acid [2-keto-2-(2-methoxy-5-methyl-anilino)ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H25N3O3S/c1-16-8-9-19(26-2)18(14-16)23-20(25)15-28-21(24-10-12-27-13-11-24)22-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,25)