2-(azepan-1-yl)-5-(1-methyl-5-nitro-2-oxidanylidene-indol-3-ylidene)-1,3-thiazol-4-one

Systemtic Name: 2-(azepan-1-yl)-5-(1-methyl-5-nitro-2-oxidanylidene-indol-3-ylidene)-1,3-thiazol-4-one Openeye Name: 2-(azepan-1-yl)-5-(1-methyl-5-nitro-2-oxo-indolin-3-ylidene)thiazol-4-one CAS Name: 2-(1-azepanyl)-5-(1-methyl-5-nitro-2-oxo-3-indolylidene)-4-thiazolone IUPAC Name: 2-(azepan-1-yl)-5-(1-methyl-5-nitro-2-oxoindol-3-ylidene)-1,3-thiazol-4-one Traditional Name: 2-(azepan-1-yl)-5-(2-keto-1-methyl-5-nitro-indolin-3-ylidene)-2-thiazolin-4-one Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C3C(=O)N=C(S3)N4CCCCCC4)C1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C3C(=O)N=C(S3)N4CCCCCC4)C1=O

InChI

InChI=1S/C18H18N4O4S/c1-20-13-7-6-11(22(25)26)10-12(13)14(17(20)24)15-16(23)19-18(27-15)21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3