N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S2/c1-12-5-8-17-16(10-12)22-20(26-17)14-7-6-13(2)15(11-14)23-21(27)24-19(25)18-4-3-9-28-18/h3-11H,1-2H3,(H2,23,24,25,27)