8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-2-propan-2-yl-chromen-4-one

Systemtic Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-chromen-4-one CAS Name: 8-(1-azepanylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-propan-2-ylchromen-4-one Traditional Name: 8-(azepan-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-chromone Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)CN5CCCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)CN5CCCCCC5)O

InChI

InChI=1S/C28H32N2O3S/c1-4-18-15-19-25(32)23(28-29-21-11-7-8-12-22(21)34-28)26(17(2)3)33-27(19)20(24(18)31)16-30-13-9-5-6-10-14-30/h7-8,11-12,15,17,31H,4-6,9-10,13-14,16H2,1-3H3