N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-3-phenyl-propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-3-phenyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-3-phenyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-3-phenylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-3-phenylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-3-phenyl-propionamide Formula: C29H24N2O3S2 MolecularWeight: 512.64246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H24N2O3S2/c1-18-25(16-20-11-13-22-23(15-20)34-17-33-22)36-29(31-26(32)14-12-19-7-3-2-4-8-19)27(18)28-30-21-9-5-6-10-24(21)35-28/h2-11,13,15H,12,14,16-17H2,1H3,(H,31,32)