[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2S/c1-28-20-12-11-18(15-19(20)23)24-21(27)16-29-22(25-17-9-5-4-6-10-17)26-13-7-2-3-8-14-26/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,24,27)