1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(methylsulfanylmethyl)benzoyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(methylsulfanylmethyl)benzoyl]amino]thiourea Traditional Name: 1-[[4-[(methylthio)methyl]benzoyl]amino]-3-piperonyl-thiourea Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NNC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O3S2/c1-26-10-12-2-5-14(6-3-12)17(22)20-21-18(25)19-9-13-4-7-15-16(8-13)24-11-23-15/h2-8H,9-11H2,1H3,(H,20,22)(H2,19,21,25)