N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C27H35N3O3S/c1-2-3-4-9-20-33-24-16-12-21(13-17-24)25(31)29-27(34)28-23-14-10-22(11-15-23)26(32)30-18-7-5-6-8-19-30/h10-17H,2-9,18-20H2,1H3,(H2,28,29,31,34)