N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloranyl-phenyl]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chloro-phenyl]-1-hydroxy-naphthalene-2-carboxamide CAS Name: N-[4-[[(4-acetamidoanilino)-sulfanylidenemethyl]amino]-2-chlorophenyl]-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: N-[4-[(4-acetamidophenyl)carbamothioylamino]-2-chlorophenyl]-1-hydroxynaphthalene-2-carboxamide Traditional Name: N-[4-[(4-acetamidophenyl)thiocarbamoylamino]-2-chloro-phenyl]-1-hydroxy-2-naphthamide Formula: C26H21ClN4O3S MolecularWeight: 504.98794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4C=C3)O)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4C=C3)O)Cl

InChI

InChI=1S/C26H21ClN4O3S/c1-15(32)28-17-7-9-18(10-8-17)29-26(35)30-19-11-13-23(22(27)14-19)31-25(34)21-12-6-16-4-2-3-5-20(16)24(21)33/h2-14,33H,1H3,(H,28,32)(H,31,34)(H2,29,30,35)