[4-[(4-pyrrol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-thieno[3,2-b]thiophen-5-yl-methanone

Systemtic Name: [4-[(4-pyrrol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-thieno[3,2-b]thiophen-5-yl-methanone Openeye Name: [4-[(4-pyrrol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-thieno[3,2-b]thiophen-5-yl-methanone CAS Name: [4-[[4-(1-pyrrolyl)phenyl]methyl]-1,4-diazepan-1-yl]-(5-thieno[3,2-b]thiophenyl)methanone IUPAC Name: [4-[(4-pyrrol-1-ylphenyl)methyl]-1,4-diazepan-1-yl]-thieno[3,2-b]thiophen-5-ylmethanone Traditional Name: [4-(4-pyrrol-1-ylbenzyl)-1,4-diazepan-1-yl]-thieno[3,2-b]thiophen-5-yl-methanone Formula: C23H23N3OS2 MolecularWeight: 421.57822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CS3)CC4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CS3)CC4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C23H23N3OS2/c27-23(22-16-21-20(29-22)8-15-28-21)26-12-3-9-24(13-14-26)17-18-4-6-19(7-5-18)25-10-1-2-11-25/h1-2,4-8,10-11,15-16H,3,9,12-14,17H2