1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-methyl-thiourea

Systemtic Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-methyl-thiourea Openeye Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-methyl-thiourea CAS Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-methylthiourea IUPAC Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-methylthiourea Traditional Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-methyl-thiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC)CCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C/C(=N\NC(=S)NC)/CCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17N3O2S/c1-9(15-16-13(19)14-2)3-4-10-5-6-11-12(7-10)18-8-17-11/h5-7H,3-4,8H2,1-2H3,(H2,14,16,19)/b15-9+