1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]thiourea Traditional Name: 1-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]-3-piperonyl-thiourea Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNNC(=S)NCC2=CC3=C(C=C2)OCO3)C1=O)CO

InChI

InChI=1S/C17H18N4O4S/c1-10-16(23)13(12(8-22)6-18-10)7-20-21-17(26)19-5-11-2-3-14-15(4-11)25-9-24-14/h2-4,6-7,20,22H,5,8-9H2,1H3,(H2,19,21,26)