N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[4-(1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C24H21N3O3S MolecularWeight: 431.50684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H21N3O3S/c1-2-29-19-7-5-6-18(14-19)22(28)27-24(31)25-15-16-10-12-17(13-11-16)23-26-20-8-3-4-9-21(20)30-23/h3-14H,2,15H2,1H3,(H2,25,27,28,31)