4-[3-(4-carbamothioylphenyl)carbonyl-2-oxidanylidene-cycloheptyl]carbonylbenzenecarbothioamide

Systemtic Name: 4-[3-(4-carbamothioylphenyl)carbonyl-2-oxidanylidene-cycloheptyl]carbonylbenzenecarbothioamide Openeye Name: 4-[3-(4-carbamothioylbenzoyl)-2-oxo-cycloheptanecarbonyl]benzenecarbothioamide CAS Name: 4-[[3-[(4-carbamothioylphenyl)-oxomethyl]-2-oxocycloheptyl]-oxomethyl]benzenecarbothioamide IUPAC Name: 4-[3-(4-carbamothioylbenzoyl)-2-oxocycloheptanecarbonyl]benzenecarbothioamide Traditional Name: 4-[2-keto-3-(4-thiocarbamoylbenzoyl)cycloheptanecarbonyl]thiobenzamide Formula: C23H22N2O3S2 MolecularWeight: 438.56238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C(C1)C(=O)C2=CC=C(C=C2)C(=S)N)C(=O)C3=CC=C(C=C3)C(=S)N

Isomeric SMILES

C1CCC(C(=O)C(C1)C(=O)C2=CC=C(C=C2)C(=S)N)C(=O)C3=CC=C(C=C3)C(=S)N

InChI

InChI=1S/C23H22N2O3S2/c24-22(29)15-9-5-13(6-10-15)19(26)17-3-1-2-4-18(21(17)28)20(27)14-7-11-16(12-8-14)23(25)30/h5-12,17-18H,1-4H2,(H2,24,29)(H2,25,30)