N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-3-phenyl-propanamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-3-phenyl-propanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-phenyl-N-sec-butyl-propanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-butan-2-yl-3-phenylpropanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-yl-3-phenylpropanamide Traditional Name: N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-3-phenyl-N-sec-butyl-propionamide Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H34N2O4S/c1-4-22(3)31(28(32)13-11-23-8-6-5-7-9-23)19-29(33)30(18-27-21(2)14-15-36-27)17-24-10-12-25-26(16-24)35-20-34-25/h5-10,12,14-16,22H,4,11,13,17-20H2,1-3H3