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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methyl-2-furyl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methyl-2-furanyl)methyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-propylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]acetamide Traditional Name: N-[(5-methyl-2-furyl)methyl]-2-[[4-(methylthio)phenyl]carbamoyl-propyl-amino]-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=CC=C(O3)C)C(=O)NC4=CC=C(C=C4)SC

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=C(O3)C)C(=O)NC4=CC=C(C=C4)SC

InChI

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