N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-(phenylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide IUPAC Name: N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-benzyl-N-(4-isopropyl-1,3-benzothiazol-2-yl)-piperonylamide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O3S/c1-16(2)19-9-6-10-22-23(19)26-25(31-22)27(14-17-7-4-3-5-8-17)24(28)18-11-12-20-21(13-18)30-15-29-20/h3-13,16H,14-15H2,1-2H3