1-benzothiophen-2-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-[(4-tert-butylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(4-tert-butylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C25H30N2OS/c1-25(2,3)21-11-9-19(10-12-21)18-26-13-6-14-27(16-15-26)24(28)23-17-20-7-4-5-8-22(20)29-23/h4-5,7-12,17H,6,13-16,18H2,1-3H3