N-(azepan-1-ylcarbothioyl)-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-3-(2-phenoxyethoxy)benzamide Openeye Name: N-(azepane-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-(azepane-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide Traditional Name: N-(azepane-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c25-21(23-22(28)24-13-6-1-2-7-14-24)18-9-8-12-20(17-18)27-16-15-26-19-10-4-3-5-11-19/h3-5,8-12,17H,1-2,6-7,13-16H2,(H,23,25,28)