7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-2-piperazin-1-yl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-2-piperazin-1-yl-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 4-isopropyl-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-2-piperazin-1-yl-cyclohepta-2,4,6-trien-1-one CAS Name: 7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-2-(1-piperazinyl)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-2-piperazin-1-yl-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 4-isopropyl-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-2-piperazino-cyclohepta-2,4,6-trien-1-one Formula: C29H33N3OS MolecularWeight: 471.65682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C(=O)C(=C1)N2CCNCC2)C3N(C4=CC=CC=C4S3)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C(=O)C(=C1)N2CCNCC2)C3N(C4=CC=CC=C4S3)CCC5=CC=CC=C5

InChI

InChI=1S/C29H33N3OS/c1-21(2)23-12-13-24(28(33)26(20-23)31-18-15-30-16-19-31)29-32(17-14-22-8-4-3-5-9-22)25-10-6-7-11-27(25)34-29/h3-13,20-21,29-30H,14-19H2,1-2H3