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

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea Traditional Name: 3-(3-chloro-4-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=CC(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O2S/c1-3-10-23(20(26)22-15-9-8-14(2)17(21)11-15)12-16-13-24-18-6-4-5-7-19(18)25-16/h4-9,11,16H,3,10,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1