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

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-thiophen-2-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thienyl]-3-phenylsulfanyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methyl-2-thiophenyl]-3-(phenylthio)propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-methylthiophen-2-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4-methyl-5-piperonyl-2-thienyl]-3-(phenylthio)propionamide Formula: C29H24N2O3S3 MolecularWeight: 544.70746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCSC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=C1C2=NC3=CC=CC=C3S2)NC(=O)CCSC4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H24N2O3S3/c1-18-25(16-19-11-12-22-23(15-19)34-17-33-22)37-29(27(18)28-30-21-9-5-6-10-24(21)36-28)31-26(32)13-14-35-20-7-3-2-4-8-20/h2-12,15H,13-14,16-17H2,1H3,(H,31,32)