[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3,4-diethoxyphenyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-diethoxyphenyl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-(3,4-diethoxyphenyl)methanone Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br)OCC

InChI

InChI=1S/C22H24BrN3O3S/c1-3-28-18-8-5-15(13-19(18)29-4-2)21(27)25-9-11-26(12-10-25)22-24-17-7-6-16(23)14-20(17)30-22/h5-8,13-14H,3-4,9-12H2,1-2H3