1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-(3-pyridylmethyl)thiourea Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N(CC1=CN=CC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)CCNC(=S)N(CC1=CN=CC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H22N4O2S/c1-21(2)9-8-20-18(25)22(12-14-4-3-7-19-11-14)15-5-6-16-17(10-15)24-13-23-16/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,20,25)