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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC(=C(C3=O)N)C(=S)N)C4=CC=CC=C4

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)C(=O)C2=C3C(=CC=C2)OC(=C(C3=O)N)C(=S)N)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4S/c1-16(17-6-3-2-4-7-17)14-15-32-19-12-10-18(11-13-19)24(30)20-8-5-9-21-22(20)25(31)23(28)26(33-21)27(29)34/h2-13,16H,14-15,28H2,1H3,(H2,29,34)