6-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-ethylphenyl)imino-3-piperonyl-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H23N3O4S/c1-2-17-3-7-20(8-4-17)28-27-30(13-18-5-9-24-25(11-18)34-16-33-24)22(15-35-27)19-6-10-23-21(12-19)29-26(31)14-32-23/h3-12,15H,2,13-14,16H2,1H3,(H,29,31)