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

Systemtic Name: [2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-[[4-(4-chlorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-[[4-(4-chlorophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-[[4-(4-chlorophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C24H25ClN4OS2 MolecularWeight: 485.0645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4OS2/c25-19-12-10-18(11-13-19)21-16-31-23(27-21)28-22(30)17-32-24(26-20-8-4-3-5-9-20)29-14-6-1-2-7-15-29/h3-5,8-13,16H,1-2,6-7,14-15,17H2,(H,27,28,30)