N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H14ClN3O2S2 MolecularWeight: 427.92706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CSC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14ClN3O2S2/c21-13-5-3-12(4-6-13)10-18-23-15-11-14(7-8-16(15)26-18)22-20(27)24-19(25)17-2-1-9-28-17/h1-9,11H,10H2,(H2,22,24,25,27)