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

Systemtic Name: 2-(2-dimethylaminoethyl)-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-4-propan-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-(2-dimethylaminoethyl)-4-isopropyl-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)cyclohepta-2,4,6-trien-1-one CAS Name: 2-(2-dimethylaminoethyl)-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-4-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-(2-dimethylaminoethyl)-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(2-dimethylaminoethyl)-4-isopropyl-7-(3-phenethyl-2H-1,3-benzothiazol-2-yl)cyclohepta-2,4,6-trien-1-one Formula: C29H34N2OS MolecularWeight: 458.65806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2OS/c1-21(2)23-14-15-25(28(32)24(20-23)17-18-30(3)4)29-31(19-16-22-10-6-5-7-11-22)26-12-8-9-13-27(26)33-29/h5-15,20-21,29H,16-19H2,1-4H3