2-(butanethioylamino)-N-(7-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)propanamide

Systemtic Name: 2-(butanethioylamino)-N-(7-methyl-6-oxidanylidene-7H-benzo[d][1]benzazepin-5-yl)propanamide Openeye Name: 2-(butanethioylamino)-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide CAS Name: N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)-2-(1-sulfanylidenebutylamino)propanamide IUPAC Name: 2-(butanethioylamino)-N-(7-methyl-6-oxo-7H-benzo[d][1]benzazepin-5-yl)propanamide Traditional Name: 2-(butanethioylamino)-N-(6-keto-7-methyl-7H-benzo[d][1]benzazepin-5-yl)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=S)NC(C)C(=O)NN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)C

Isomeric SMILES

CCCC(=S)NC(C)C(=O)NN1C2=CC=CC=C2C3=CC=CC=C3C(C1=O)C

InChI

InChI=1S/C22H25N3O2S/c1-4-9-20(28)23-15(3)21(26)24-25-19-13-8-7-12-18(19)17-11-6-5-10-16(17)14(2)22(25)27/h5-8,10-15H,4,9H2,1-3H3,(H,23,28)(H,24,26)