[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCCCC3)OC

InChI

InChI=1S/C23H29N3O3S/c1-28-20-13-12-19(16-21(20)29-2)24-22(27)17-30-23(25-18-10-6-5-7-11-18)26-14-8-3-4-9-15-26/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H,24,27)