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

Systemtic Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-ethoxy-4-methoxy-2-nitrophenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-ethoxy-4-methoxy-2-nitro-phenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H25N3O5S/c1-3-28-19-12-16(17(23(25)26)13-18(19)27-2)20(24)22-8-5-7-21(9-10-22)14-15-6-4-11-29-15/h4,6,11-13H,3,5,7-10,14H2,1-2H3