N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-12-keto-N-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC4=C(C=C3)C(=O)N5CCCCCC5=N4

InChI

InChI=1S/C23H22N4O2S/c1-26(14-21-25-17-7-4-5-8-19(17)30-21)22(28)15-10-11-16-18(13-15)24-20-9-3-2-6-12-27(20)23(16)29/h4-5,7-8,10-11,13H,2-3,6,9,12,14H2,1H3