1-(3-chloranyl-4-methoxy-phenyl)-3-(2-dimethylaminoethyl)-1-[(4-ethoxyphenyl)methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-3-(2-dimethylaminoethyl)-1-[(4-ethoxyphenyl)methyl]thiourea Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-3-(2-dimethylaminoethyl)-1-[(4-ethoxyphenyl)methyl]thiourea CAS Name: 1-(3-chloro-4-methoxyphenyl)-3-(2-dimethylaminoethyl)-1-[(4-ethoxyphenyl)methyl]thiourea IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-3-(2-dimethylaminoethyl)-1-[(4-ethoxyphenyl)methyl]thiourea Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-3-(2-dimethylaminoethyl)-1-(4-ethoxybenzyl)thiourea Formula: C21H28ClN3O2S MolecularWeight: 421.98392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)OC)Cl)C(=S)NCCN(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C2=CC(=C(C=C2)OC)Cl)C(=S)NCCN(C)C

InChI

InChI=1S/C21H28ClN3O2S/c1-5-27-18-9-6-16(7-10-18)15-25(21(28)23-12-13-24(2)3)17-8-11-20(26-4)19(22)14-17/h6-11,14H,5,12-13,15H2,1-4H3,(H,23,28)