N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-yl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-yl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[isopropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-methoxyanilino)-oxomethyl]-propan-2-ylamino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[isopropyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[(3-methyl-2-thienyl)methyl]-N-piperonyl-acetamide Formula: C27H31N3O5S MolecularWeight: 509.61714

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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)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C(C)C)C(=O)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H31N3O5S/c1-18(2)30(27(32)28-21-6-8-22(33-4)9-7-21)16-26(31)29(15-25-19(3)11-12-36-25)14-20-5-10-23-24(13-20)35-17-34-23/h5-13,18H,14-17H2,1-4H3,(H,28,32)