4-azanyl-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one

Systemtic Name: 4-azanyl-3-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one Openeye Name: 4-amino-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one CAS Name: 4-amino-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 4-amino-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one Traditional Name: 4-amino-3-[(4-ketocyclohexa-2,5-dien-1-ylidene)methyl]pyrimido[2,1-b][1,3]benzothiazol-2-one Formula: C17H11N3O2S MolecularWeight: 321.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=C(C(=O)N=C3S2)C=C4C=CC(=O)C=C4)N

InChI

InChI=1S/C17H11N3O2S/c18-15-12(9-10-5-7-11(21)8-6-10)16(22)19-17-20(15)13-3-1-2-4-14(13)23-17/h1-9H,18H2