2-(1,3-benzothiazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]-1-phenyl-prop-2-en-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]-1-phenyl-prop-2-en-1-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-(4-isopentyloxyphenyl)-1-phenyl-prop-2-en-1-one CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(3-methylbutoxy)phenyl]-1-phenylprop-2-en-1-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-(4-isoamoxyphenyl)-1-phenyl-prop-2-en-1-one Formula: C27H25NO2S MolecularWeight: 427.5579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO2S/c1-19(2)16-17-30-22-14-12-20(13-15-22)18-23(26(29)21-8-4-3-5-9-21)27-28-24-10-6-7-11-25(24)31-27/h3-15,18-19H,16-17H2,1-2H3