4-propan-2-yl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-propan-2-yl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-isopropyl-N-[[4-(4-pyridylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-propan-2-yl-N-[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-propan-2-yl-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-isopropyl-N-[[4-(4-pyridylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C23H23N3OS MolecularWeight: 389.51322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C23H23N3OS/c1-16(2)19-5-7-20(8-6-19)22(27)26-23(28)25-21-9-3-17(4-10-21)15-18-11-13-24-14-12-18/h3-14,16H,15H2,1-2H3,(H2,25,26,27,28)