2-methyl-3-[1-oxidanyl-2-(4-phenylbutylamino)propyl]-6-sulfanylidene-7H-chromen-4-one

Systemtic Name: 2-methyl-3-[1-oxidanyl-2-(4-phenylbutylamino)propyl]-6-sulfanylidene-7H-chromen-4-one Openeye Name: 3-[1-hydroxy-2-(4-phenylbutylamino)propyl]-2-methyl-6-thioxo-7H-chromen-4-one CAS Name: 3-[1-hydroxy-2-(4-phenylbutylamino)propyl]-2-methyl-6-sulfanylidene-7H-1-benzopyran-4-one IUPAC Name: 3-[1-hydroxy-2-(4-phenylbutylamino)propyl]-2-methyl-6-sulfanylidene-7H-chromen-4-one Traditional Name: 3-[1-hydroxy-2-(4-phenylbutylamino)propyl]-2-methyl-6-thioxo-7H-chromen-4-one Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=CC(=S)CC=C2O1)C(C(C)NCCCCC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C(=O)C2=CC(=S)CC=C2O1)C(C(C)NCCCCC3=CC=CC=C3)O

InChI

InChI=1S/C23H27NO3S/c1-15(24-13-7-6-10-17-8-4-3-5-9-17)22(25)21-16(2)27-20-12-11-18(28)14-19(20)23(21)26/h3-5,8-9,12,14-15,22,24-25H,6-7,10-11,13H2,1-2H3