N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-chloranyl-N-propan-2-yl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-chloranyl-N-propan-2-yl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-chloro-N-isopropyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-4-chloro-N-propan-2-ylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-propan-2-ylbenzamide Traditional Name: 4-chloro-N-isopropyl-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]benzamide Formula: C26H27ClN2O4S MolecularWeight: 499.02158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C(C)C)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C(C)C)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H27ClN2O4S/c1-17(2)29(26(31)20-5-7-21(27)8-6-20)15-25(30)28(14-24-18(3)10-11-34-24)13-19-4-9-22-23(12-19)33-16-32-22/h4-12,17H,13-16H2,1-3H3