N-butan-2-yl-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-butan-2-yl-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-sec-butyl-1,3-benzodioxole-5-carboxamide CAS Name: N-butan-2-yl-N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-yl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-sec-butyl-piperonylamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)N(CC(=O)N(CC1=CC=CC=C1)CC2=C(C=CS2)C)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H30N2O4S/c1-4-20(3)29(27(31)22-10-11-23-24(14-22)33-18-32-23)17-26(30)28(15-21-8-6-5-7-9-21)16-25-19(2)12-13-34-25/h5-14,20H,4,15-18H2,1-3H3