N-(2-diethylaminoethyl)-4-phenylsulfanyl-azepane-1-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-4-phenylsulfanyl-azepane-1-carboxamide Openeye Name: N-(2-diethylaminoethyl)-4-phenylsulfanyl-azepane-1-carboxamide CAS Name: N-(2-diethylaminoethyl)-4-(phenylthio)-1-azepanecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-4-phenylsulfanylazepane-1-carboxamide Traditional Name: N-(2-diethylaminoethyl)-4-(phenylthio)azepane-1-carboxamide Formula: C19H31N3OS MolecularWeight: 349.53394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)N1CCCC(CC1)SC2=CC=CC=C2

Isomeric SMILES

CCN(CC)CCNC(=O)N1CCCC(CC1)SC2=CC=CC=C2

InChI

InChI=1S/C19H31N3OS/c1-3-21(4-2)16-13-20-19(23)22-14-8-11-18(12-15-22)24-17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3,(H,20,23)