[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate

Systemtic Name: [2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-(3,5-dichloroanilino)-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-(3,5-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dichloroanilino)-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-(3,5-dichloroanilino)-2-keto-ethyl] ester Formula: C21H23Cl2N3OS MolecularWeight: 436.39782

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3OS/c22-16-12-17(23)14-19(13-16)24-20(27)15-28-21(25-18-8-4-3-5-9-18)26-10-6-1-2-7-11-26/h3-5,8-9,12-14H,1-2,6-7,10-11,15H2,(H,24,27)