3-(1,3-benzodioxol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(phenylmethyl)propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H22N2O4S/c1-29-19-9-10-20-23(14-19)32-25(26-20)27(15-18-5-3-2-4-6-18)24(28)12-8-17-7-11-21-22(13-17)31-16-30-21/h2-7,9-11,13-14H,8,12,15-16H2,1H3