6-[2-butylimino-3-(cyclopenten-1-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-butylimino-3-(cyclopenten-1-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-butylimino-3-(cyclopenten-1-ylamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-butylimino-3-(1-cyclopentenylamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-butylimino-3-(cyclopenten-1-ylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-butylimino-3-(cyclopenten-1-ylamino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)NC4=CCCC4

Isomeric SMILES

CCCCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)NC4=CCCC4

InChI

InChI=1S/C20H24N4O2S/c1-2-3-10-21-20-24(23-15-6-4-5-7-15)17(13-27-20)14-8-9-18-16(11-14)22-19(25)12-26-18/h6,8-9,11,13,23H,2-5,7,10,12H2,1H3,(H,22,25)