1-[(4-methylphenyl)-thiophen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylphenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[p-tolyl(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(4-methylphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[p-tolyl(2-thienyl)methyl]-1,4-diazepane Formula: C17H22N2S MolecularWeight: 286.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)N3CCCNCC3

InChI

InChI=1S/C17H22N2S/c1-14-5-7-15(8-6-14)17(16-4-2-13-20-16)19-11-3-9-18-10-12-19/h2,4-8,13,17-18H,3,9-12H2,1H3