1-[1,3-benzodioxol-5-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol

Systemtic Name: 1-[1,3-benzodioxol-5-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol Openeye Name: 1-[1,3-benzodioxol-5-ylmethyl-[(5-methyl-2-thienyl)methyl]amino]butan-2-ol CAS Name: 1-[1,3-benzodioxol-5-ylmethyl-[(5-methyl-2-thiophenyl)methyl]amino]-2-butanol IUPAC Name: 1-[1,3-benzodioxol-5-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]butan-2-ol Traditional Name: 1-[(5-methyl-2-thienyl)methyl-piperonyl-amino]butan-2-ol Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(CC1=CC2=C(C=C1)OCO2)CC3=CC=C(S3)C)O

Isomeric SMILES

CCC(CN(CC1=CC2=C(C=C1)OCO2)CC3=CC=C(S3)C)O

InChI

InChI=1S/C18H23NO3S/c1-3-15(20)10-19(11-16-6-4-13(2)23-16)9-14-5-7-17-18(8-14)22-12-21-17/h4-8,15,20H,3,9-12H2,1-2H3