N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C26H27N3O4S2/c1-3-12-28(26(31)27-20-7-9-21(34-2)10-8-20)17-25(30)29(16-22-5-4-13-35-22)15-19-6-11-23-24(14-19)33-18-32-23/h3-11,13-14H,1,12,15-18H2,2H3,(H,27,31)