4-azanyl-5-chloranyl-2-ethoxy-N-[4-(phenylmethyl)-1,4-thiazepan-6-yl]benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-ethoxy-N-[4-(phenylmethyl)-1,4-thiazepan-6-yl]benzamide Openeye Name: 4-amino-N-(4-benzyl-1,4-thiazepan-6-yl)-5-chloro-2-ethoxy-benzamide CAS Name: 4-amino-5-chloro-2-ethoxy-N-[4-(phenylmethyl)-1,4-thiazepan-6-yl]benzamide IUPAC Name: 4-amino-N-(4-benzyl-1,4-thiazepan-6-yl)-5-chloro-2-ethoxybenzamide Traditional Name: 4-amino-N-(4-benzyl-1,4-thiazepan-6-yl)-5-chloro-2-ethoxy-benzamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCSC2)CC3=CC=CC=C3)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)NC2CN(CCSC2)CC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C21H26ClN3O2S/c1-2-27-20-11-19(23)18(22)10-17(20)21(26)24-16-13-25(8-9-28-14-16)12-15-6-4-3-5-7-15/h3-7,10-11,16H,2,8-9,12-14,23H2,1H3,(H,24,26)