1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-propan-2-yl-thiourea

Systemtic Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-isopropyl-thiourea CAS Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-propan-2-ylthiourea Traditional Name: 1-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-isopropyl-thiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=C(C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)NC(=S)N/N=C(\C)/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17N3O2S/c1-8(2)14-13(19)16-15-9(3)10-4-5-11-12(6-10)18-7-17-11/h4-6,8H,7H2,1-3H3,(H2,14,16,19)/b15-9+