1-(1,3-benzodioxol-5-yl)-3-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(o-tolylmethylsulfanyl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-[(2-methylbenzyl)thio]acetyl]amino]thiourea Formula: C18H19N3O3S2 MolecularWeight: 389.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NNC(=S)NC2=CC3=C(C=C2)OCO3

InChI

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