1-(1,3-benzodioxol-5-ylmethyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1,5-dimethyl-2-pyrrolyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(1,5-dimethylpyrrol-2-yl)methyl]thiourea Traditional Name: 1-[(1,5-dimethylpyrrol-2-yl)methyl]-3-piperonyl-thiourea Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=C(N1C)CNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N3O2S/c1-11-3-5-13(19(11)2)9-18-16(22)17-8-12-4-6-14-15(7-12)21-10-20-14/h3-7H,8-10H2,1-2H3,(H2,17,18,22)