[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenylazanyl-1,3-thiazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-phenylazanyl-1,3-thiazol-4-yl)methanone Openeye Name: (2-anilinothiazol-4-yl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone CAS Name: (2-anilino-4-thiazolyl)-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-anilino-1,3-thiazol-4-yl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methanone Traditional Name: (2-anilinothiazol-4-yl)-(4-piperonylpiperazino)methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CSC(=N4)NC5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3S/c27-21(18-14-30-22(24-18)23-17-4-2-1-3-5-17)26-10-8-25(9-11-26)13-16-6-7-19-20(12-16)29-15-28-19/h1-7,12,14H,8-11,13,15H2,(H,23,24)