N-(azepan-1-ylcarbothioyl)-4-(2-phenoxyethoxy)benzamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-4-(2-phenoxyethoxy)benzamide Openeye Name: N-(azepane-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-4-(2-phenoxyethoxy)benzamide IUPAC Name: N-(azepane-1-carbothioyl)-4-(2-phenoxyethoxy)benzamide Traditional Name: N-(azepane-1-carbothioyl)-4-(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=C(C=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

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

InChI

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