1-(1,3-benzodioxol-5-yl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-allyl-1-(1,3-benzodioxol-5-yl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-prop-2-enyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-allyl-1-(1,3-benzodioxol-5-yl)-1-(4-pyridylmethyl)thiourea Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-2-7-19-17(23)20(11-13-5-8-18-9-6-13)14-3-4-15-16(10-14)22-12-21-15/h2-6,8-10H,1,7,11-12H2,(H,19,23)