1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]thiourea Traditional Name: 1-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]-3-piperonyl-thiourea Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NNC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16N4O4S2/c23-16-8-28-15-4-2-11(6-12(15)20-16)17(24)21-22-18(27)19-7-10-1-3-13-14(5-10)26-9-25-13/h1-6H,7-9H2,(H,20,23)(H,21,24)(H2,19,22,27)