1,4-bis[(4,5,6-trimethyl-1-benzothiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(4,5,6-trimethyl-1-benzothiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1,4-bis[(4,5,6-trimethylbenzothiophen-2-yl)methyl]-1,4-diazepane CAS Name: 1,4-bis[(4,5,6-trimethyl-1-benzothiophen-2-yl)methyl]-1,4-diazepane IUPAC Name: 1,4-bis[(4,5,6-trimethyl-1-benzothiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1,4-bis[(4,5,6-trimethylbenzothiophen-2-yl)methyl]-1,4-diazepane Formula: C29H36N2S2 MolecularWeight: 476.73954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(S2)CN3CCCN(CC3)CC4=CC5=C(S4)C=C(C(=C5C)C)C)C(=C1C)C

Isomeric SMILES

CC1=CC2=C(C=C(S2)CN3CCCN(CC3)CC4=CC5=C(S4)C=C(C(=C5C)C)C)C(=C1C)C

InChI

InChI=1S/C29H36N2S2/c1-18-12-28-26(22(5)20(18)3)14-24(32-28)16-30-8-7-9-31(11-10-30)17-25-15-27-23(6)21(4)19(2)13-29(27)33-25/h12-15H,7-11,16-17H2,1-6H3