N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]cyclopropanecarboxamide Openeye Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylsulfanyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]thio]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylthio]phenyl]cyclopropanecarboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4CC4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)C4CC4

InChI

InChI=1S/C21H22N2O4S/c1-2-19(21(25)23-15-8-9-17-18(11-15)27-12-26-17)28-16-5-3-4-14(10-16)22-20(24)13-6-7-13/h3-5,8-11,13,19H,2,6-7,12H2,1H3,(H,22,24)(H,23,25)