2-azanyl-5-[1-(azepan-1-ylmethyl)-3-oxidanyl-2-oxidanylidene-indol-3-yl]-1,3-thiazol-4-one

Systemtic Name: 2-azanyl-5-[1-(azepan-1-ylmethyl)-3-oxidanyl-2-oxidanylidene-indol-3-yl]-1,3-thiazol-4-one Openeye Name: 2-amino-5-[1-(azepan-1-ylmethyl)-3-hydroxy-2-oxo-indolin-3-yl]thiazol-4-one CAS Name: 2-amino-5-[1-(1-azepanylmethyl)-3-hydroxy-2-oxo-3-indolyl]-4-thiazolone IUPAC Name: 2-amino-5-[1-(azepan-1-ylmethyl)-3-hydroxy-2-oxoindol-3-yl]-1,3-thiazol-4-one Traditional Name: 2-amino-5-[1-(azepan-1-ylmethyl)-3-hydroxy-2-keto-indolin-3-yl]-2-thiazolin-4-one Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CN2C3=CC=CC=C3C(C2=O)(C4C(=O)N=C(S4)N)O

Isomeric SMILES

C1CCCN(CC1)CN2C3=CC=CC=C3C(C2=O)(C4C(=O)N=C(S4)N)O

InChI

InChI=1S/C18H22N4O3S/c19-17-20-15(23)14(26-17)18(25)12-7-3-4-8-13(12)22(16(18)24)11-21-9-5-1-2-6-10-21/h3-4,7-8,14,25H,1-2,5-6,9-11H2,(H2,19,20,23)