3-azanyl-N-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide

Systemtic Name: 3-azanyl-N-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide Openeye Name: 3-amino-N-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide CAS Name: 3-amino-N-[4-[[[4-(methylthio)anilino]-oxomethyl]amino]phenyl]-1,2-benzoxazole-4-carboxamide IUPAC Name: 3-amino-N-[4-[(4-methylsulfanylphenyl)carbamoylamino]phenyl]-1,2-benzoxazole-4-carboxamide Traditional Name: 3-amino-N-[4-[[4-(methylthio)phenyl]carbamoylamino]phenyl]indoxazene-4-carboxamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3=C4C(=CC=C3)ON=C4N

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)NC(=O)C3=C4C(=CC=C3)ON=C4N

InChI

InChI=1S/C22H19N5O3S/c1-31-16-11-9-15(10-12-16)26-22(29)25-14-7-5-13(6-8-14)24-21(28)17-3-2-4-18-19(17)20(23)27-30-18/h2-12H,1H3,(H2,23,27)(H,24,28)(H2,25,26,29)