4-[C-methyl-N-[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]carbonimidoyl]benzenecarbonitrile

Systemtic Name: 4-[C-methyl-N-[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]carbonimidoyl]benzenecarbonitrile Openeye Name: 4-[N-[2-isopropylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)thiazol-3-yl]-C-methyl-carbonimidoyl]benzonitrile CAS Name: 4-[1-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylimino-3-thiazolyl]imino]ethyl]benzonitrile IUPAC Name: 4-[C-methyl-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylimino-1,3-thiazol-3-yl]carbonimidoyl]benzonitrile Traditional Name: 4-[N-[2-isopropylimino-4-(3-keto-4H-1,4-benzoxazin-6-yl)-4-thiazolin-3-yl]-C-methyl-carbonimidoyl]benzonitrile Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=C(C)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)N=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=C(C)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H21N5O2S/c1-14(2)25-23-28(27-15(3)17-6-4-16(11-24)5-7-17)20(13-31-23)18-8-9-21-19(10-18)26-22(29)12-30-21/h4-10,13-14H,12H2,1-3H3,(H,26,29)