3-azanyl-4-oxidanylidene-5-[4-(4-phenylbutoxy)phenyl]carbonyl-chromene-2-carbothioamide

Systemtic Name: 3-azanyl-4-oxidanylidene-5-[4-(4-phenylbutoxy)phenyl]carbonyl-chromene-2-carbothioamide Openeye Name: 3-amino-4-oxo-5-[4-(4-phenylbutoxy)benzoyl]chromene-2-carbothioamide CAS Name: 3-amino-4-oxo-5-[oxo-[4-(4-phenylbutoxy)phenyl]methyl]-1-benzopyran-2-carbothioamide IUPAC Name: 3-amino-4-oxo-5-[4-(4-phenylbutoxy)benzoyl]chromene-2-carbothioamide Traditional Name: 3-amino-4-keto-5-[4-(4-phenylbutoxy)benzoyl]chromene-2-carbothioamide Formula: C27H24N2O4S MolecularWeight: 472.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)C3=C4C(=CC=C3)OC(=C(C4=O)N)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC2=CC=C(C=C2)C(=O)C3=C4C(=CC=C3)OC(=C(C4=O)N)C(=S)N

InChI

InChI=1S/C27H24N2O4S/c28-23-25(31)22-20(10-6-11-21(22)33-26(23)27(29)34)24(30)18-12-14-19(15-13-18)32-16-5-4-9-17-7-2-1-3-8-17/h1-3,6-8,10-15H,4-5,9,16,28H2,(H2,29,34)