7-[4-(7-oxidanylideneazepan-2-yl)carbothioylphenyl]carbothioylazepan-2-one

Systemtic Name: 7-[4-(7-oxidanylideneazepan-2-yl)carbothioylphenyl]carbothioylazepan-2-one Openeye Name: 7-[4-(7-oxoazepane-2-carbothioyl)benzenecarbothioyl]azepan-2-one CAS Name: 7-[[4-[(7-oxo-2-azepanyl)-sulfanylidenemethyl]phenyl]-sulfanylidenemethyl]-2-azepanone IUPAC Name: 7-[4-(7-oxoazepane-2-carbothioyl)benzenecarbothioyl]azepan-2-one Traditional Name: 7-[4-(7-ketoazepane-2-carbothioyl)thiobenzoyl]azepan-2-one Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)C(=S)C2=CC=C(C=C2)C(=S)C3CCCCC(=O)N3

Isomeric SMILES

C1CCC(=O)NC(C1)C(=S)C2=CC=C(C=C2)C(=S)C3CCCCC(=O)N3

InChI

InChI=1S/C20H24N2O2S2/c23-17-7-3-1-5-15(21-17)19(25)13-9-11-14(12-10-13)20(26)16-6-2-4-8-18(24)22-16/h9-12,15-16H,1-8H2,(H,21,23)(H,22,24)