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

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylsulfanyl]phenyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylthio]phenyl]-3,3-dimethyl-butyramide Formula: C23H28N2O4S MolecularWeight: 428.54442

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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)CC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4S/c1-5-20(22(27)25-16-9-10-18-19(12-16)29-14-28-18)30-17-8-6-7-15(11-17)24-21(26)13-23(2,3)4/h6-12,20H,5,13-14H2,1-4H3,(H,24,26)(H,25,27)