3-(3-chloranyl-4-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=CC3=C(C=C2)OCCO3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=CC3=C(C=C2)OCCO3)Cl

InChI

InChI=1S/C18H19ClN2O2S/c1-12-3-5-14(10-15(12)19)20-18(24)21(2)11-13-4-6-16-17(9-13)23-8-7-22-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,24)