1-(3-chloranyl-4-methyl-phenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea Formula: C17H17ClN2O2S MolecularWeight: 348.84708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2COC3=CC=CC=C3O2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC[C@H]2COC3=CC=CC=C3O2)Cl

InChI

InChI=1S/C17H17ClN2O2S/c1-11-6-7-12(8-14(11)18)20-17(23)19-9-13-10-21-15-4-2-3-5-16(15)22-13/h2-8,13H,9-10H2,1H3,(H2,19,20,23)/t13-/m0/s1