N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(2-phenoxyethoxy)benzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(2-phenoxyethoxy)benzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-(2-phenoxyethoxy)benzamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4S/c33-27(25-12-6-7-13-26(25)36-21-20-35-24-10-4-3-5-11-24)31-29(37)30-23-16-14-22(15-17-23)28(34)32-18-8-1-2-9-19-32/h3-7,10-17H,1-2,8-9,18-21H2,(H2,30,31,33,37)