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

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NC3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C20H23ClN2O2S/c1-3-11-23(20(26)22-17-8-6-7-16(21)14(17)2)12-15-13-24-18-9-4-5-10-19(18)25-15/h4-10,15H,3,11-13H2,1-2H3,(H,22,26)/t15-/m0/s1