N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)-N-ethyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)-N-ethyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)-N-ethyl-butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)-N-ethylbutanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1,3-benzothiazol-2-yl)-N-ethylbutanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-ethyl-N-piperonyl-butyramide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S/c1-2-23(13-15-10-11-17-18(12-15)26-14-25-17)21(24)9-5-8-20-22-16-6-3-4-7-19(16)27-20/h3-4,6-7,10-12H,2,5,8-9,13-14H2,1H3