1-(3-methylbutyl)-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]thiourea Openeye Name: 1-isopentyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[2-(4-ketocinnolin-1-yl)acetyl]amino]thiourea Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CN1C2=CC=CC=C2C(=O)C=N1

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CN1C2=CC=CC=C2C(=O)C=N1

InChI

InChI=1S/C16H21N5O2S/c1-11(2)7-8-17-16(24)20-19-15(23)10-21-13-6-4-3-5-12(13)14(22)9-18-21/h3-6,9,11H,7-8,10H2,1-2H3,(H,19,23)(H2,17,20,24)