4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzenecarbothioamide

Systemtic Name: 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzenecarbothioamide Openeye Name: 4-(3,4-dimethoxyphenyl)-N-[(1R)-1-methyl-4-(3-pyridyl)butyl]benzenecarbothioamide CAS Name: 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-(3-pyridinyl)pentan-2-yl]benzenecarbothioamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzenecarbothioamide Traditional Name: 4-(3,4-dimethoxyphenyl)-N-[(1R)-1-methyl-4-(3-pyridyl)butyl]thiobenzamide Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CN=CC=C1)NC(=S)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](CCCC1=CN=CC=C1)NC(=S)C2=CC=C(C=C2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N2O2S/c1-18(6-4-7-19-8-5-15-26-17-19)27-25(30)21-11-9-20(10-12-21)22-13-14-23(28-2)24(16-22)29-3/h5,8-18H,4,6-7H2,1-3H3,(H,27,30)/t18-/m1/s1