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

Systemtic Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-(2-methoxyethyl)thiourea CAS Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[(E)-4-(1,3-benzodioxol-5-yl)butan-2-ylideneamino]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[(E)-[3-(1,3-benzodioxol-5-yl)-1-methyl-propylidene]amino]-3-(2-methoxyethyl)thiourea Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-11(17-18-15(22)16-7-8-19-2)3-4-12-5-6-13-14(9-12)21-10-20-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,16,18,22)/b17-11+