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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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