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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(4-methoxyanilino)-oxomethyl]-propylamino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(4-methoxyphenyl)carbamoyl-propyl-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:

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)NC4=CC=C(C=C4)OC

InChI

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