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

Systemtic Name: 12-oxidanylidene-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: 12-oxo-N-(2-thienylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: 12-oxo-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: 12-oxo-N-(thiophen-2-ylmethyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: 12-keto-N-(2-thenyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CS4)C(=O)N2CC1

InChI

InChI=1S/C19H19N3O2S/c23-18(20-12-14-5-4-10-25-14)13-7-8-15-16(11-13)21-17-6-2-1-3-9-22(17)19(15)24/h4-5,7-8,10-11H,1-3,6,9,12H2,(H,20,23)