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

Systemtic Name: (4-methoxy-2-oxidanyl-phenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-hydroxy-4-methoxy-phenyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-hydroxy-4-methoxy-phenyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CS3)O

InChI

InChI=1S/C18H22N2O3S/c1-23-14-5-6-16(17(21)12-14)18(22)20-8-3-7-19(9-10-20)13-15-4-2-11-24-15/h2,4-6,11-12,21H,3,7-10,13H2,1H3