1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxidanylideneindol-3-yl)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxidanylideneindol-3-yl)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxoindol-3-yl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxo-3-indolyl)amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxoindol-3-yl)amino]thiourea Traditional Name: 1-[(2-ketoindol-3-yl)amino]-3-piperonyl-thiourea Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC3=C4C=CC=CC4=NC3=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC3=C4C=CC=CC4=NC3=O

InChI

InChI=1S/C17H14N4O3S/c22-16-15(11-3-1-2-4-12(11)19-16)20-21-17(25)18-8-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H2,18,21,25)(H,19,20,22)