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

Systemtic Name: [2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C24H26N4OS2 MolecularWeight: 450.61944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=NC2=CC=CC=C2)SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS2/c29-22(27-23-26-21(17-30-23)19-11-5-3-6-12-19)18-31-24(25-20-13-7-4-8-14-20)28-15-9-1-2-10-16-28/h3-8,11-14,17H,1-2,9-10,15-16,18H2,(H,26,27,29)