(5-nitro-1-benzothiophen-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-nitro-1-benzothiophen-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-nitrobenzothiophen-2-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-nitro-1-benzothiophen-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-nitro-1-benzothiophen-2-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-nitrobenzothiophen-2-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C19H19N3O3S2/c23-19(18-12-14-11-15(22(24)25)4-5-17(14)27-18)21-7-2-6-20(8-9-21)13-16-3-1-10-26-16/h1,3-5,10-12H,2,6-9,13H2