N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H21N3O2S2/c1-14(2)17-9-10-19-18(12-17)25-22(28-19)16-7-5-15(6-8-16)13-24-23(29)26-21(27)20-4-3-11-30-20/h3-12,14H,13H2,1-2H3,(H2,24,26,27,29)