3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-(4-thiazol-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(2-thiazolyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-(4-thiazol-2-ylpiperazino)prop-2-yn-1-one Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CS3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C#CC(=O)N2CCN(CC2)C3=NC=CS3)Br

InChI

InChI=1S/C17H16BrN3O2S/c1-23-15-4-2-13(12-14(15)18)3-5-16(22)20-7-9-21(10-8-20)17-19-6-11-24-17/h2,4,6,11-12H,7-10H2,1H3