N-(2-diethylaminoethyl)-4-phenylsulfanyl-azepane-1-carboxamide; ethanedioic acid

Systemtic Name: N-(2-diethylaminoethyl)-4-phenylsulfanyl-azepane-1-carboxamide; ethanedioic acid Openeye Name: N-(2-diethylaminoethyl)-4-phenylsulfanyl-azepane-1-carboxamide; oxalic acid CAS Name: N-(2-diethylaminoethyl)-4-(phenylthio)-1-azepanecarboxamide; oxalic acid IUPAC Name: N-(2-diethylaminoethyl)-4-phenylsulfanylazepane-1-carboxamide; oxalic acid Traditional Name: N-(2-diethylaminoethyl)-4-(phenylthio)azepane-1-carboxamide; oxalic acid Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3OS.C2H2O4/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;3-1(4)2(5)6/h5-7,9-10,18H,3-4,8,11-16H2,1-2H3,(H,20,23);(H,3,4)(H,5,6)