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

Systemtic Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] N-phenylazepane-1-carboximidothioate Openeye Name: [2-oxo-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] N-phenylazepane-1-carboximidothioate CAS Name: N-phenyl-1-azepanecarboximidothioic acid [2-[[4-(4-methylphenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] N-phenylazepane-1-carboximidothioate Traditional Name: N-phenylazepane-1-carboximidothioic acid [2-keto-2-[[4-(p-tolyl)thiazol-2-yl]amino]ethyl] ester Formula: C25H28N4OS2 MolecularWeight: 464.64602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC(=NC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CSC(=NC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C25H28N4OS2/c1-19-11-13-20(14-12-19)22-17-31-24(27-22)28-23(30)18-32-25(26-21-9-5-4-6-10-21)29-15-7-2-3-8-16-29/h4-6,9-14,17H,2-3,7-8,15-16,18H2,1H3,(H,27,28,30)