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

Systemtic Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-propan-2-yl-thiourea Openeye Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-isopropyl-thiourea CAS Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-propan-2-ylthiourea IUPAC Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-propan-2-ylthiourea Traditional Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-isopropyl-thiourea Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-10(2)16-15(21)18-17-11(3)4-5-12-6-7-13-14(8-12)20-9-19-13/h6-8,10H,4-5,9H2,1-3H3,(H2,16,18,21)/b17-11+