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

Systemtic Name: 2-(2-diethylaminoethylamino)-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(2-diethylaminoethylamino)-4-isopropyl-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)cyclohepta-2,4,6-trien-1-one CAS Name: 2-(2-diethylaminoethylamino)-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(2-diethylaminoethylamino)-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(2-diethylaminoethylamino)-4-isopropyl-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)cyclohepta-2,4,6-trien-1-one Formula: C31H39N3OS MolecularWeight: 501.72586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=CC(=CC=C(C1=O)C2N(C3=CC=CC=C3S2)CCC4=CC=CC=C4)C(C)C

Isomeric SMILES

CCN(CC)CCNC1=CC(=CC=C(C1=O)C2N(C3=CC=CC=C3S2)CCC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C31H39N3OS/c1-5-33(6-2)21-19-32-27-22-25(23(3)4)16-17-26(30(27)35)31-34(20-18-24-12-8-7-9-13-24)28-14-10-11-15-29(28)36-31/h7-17,22-23,31H,5-6,18-21H2,1-4H3,(H,32,35)