[2,5,7,8-tetramethyl-2-(4-phenylpiperazin-1-yl)carbothioyl-3,4-dihydrochromen-6-yl] ethanoate

Systemtic Name: [2,5,7,8-tetramethyl-2-(4-phenylpiperazin-1-yl)carbothioyl-3,4-dihydrochromen-6-yl] ethanoate Openeye Name: [2,5,7,8-tetramethyl-2-(4-phenylpiperazine-1-carbothioyl)chroman-6-yl] acetate CAS Name: acetic acid [2,5,7,8-tetramethyl-2-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [2,5,7,8-tetramethyl-2-(4-phenylpiperazine-1-carbothioyl)-3,4-dihydrochromen-6-yl] acetate Traditional Name: acetic acid [2,5,7,8-tetramethyl-2-(4-phenylpiperazine-1-carbothioyl)chroman-6-yl] ester Formula: C26H32N2O3S MolecularWeight: 452.60888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)C(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H32N2O3S/c1-17-18(2)24-22(19(3)23(17)30-20(4)29)11-12-26(5,31-24)25(32)28-15-13-27(14-16-28)21-9-7-6-8-10-21/h6-10H,11-16H2,1-5H3