3-(3-chloranyl-2-methyl-phenyl)-1-[(3,4-diethoxyphenyl)methyl]-1-propyl-thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-[(3,4-diethoxyphenyl)methyl]-1-propyl-thiourea Openeye Name: 3-(3-chloro-2-methyl-phenyl)-1-[(3,4-diethoxyphenyl)methyl]-1-propyl-thiourea CAS Name: 3-(3-chloro-2-methylphenyl)-1-[(3,4-diethoxyphenyl)methyl]-1-propylthiourea IUPAC Name: 3-(3-chloro-2-methylphenyl)-1-[(3,4-diethoxyphenyl)methyl]-1-propylthiourea Traditional Name: 3-(3-chloro-2-methyl-phenyl)-1-(3,4-diethoxybenzyl)-1-propyl-thiourea Formula: C22H29ClN2O2S MolecularWeight: 420.99586

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC(=C(C=C1)OCC)OCC)C(=S)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CCCN(CC1=CC(=C(C=C1)OCC)OCC)C(=S)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C22H29ClN2O2S/c1-5-13-25(22(28)24-19-10-8-9-18(23)16(19)4)15-17-11-12-20(26-6-2)21(14-17)27-7-3/h8-12,14H,5-7,13,15H2,1-4H3,(H,24,28)