1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea

Systemtic Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2,6,7-trimethyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)urea Openeye Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolyl)urea CAS Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2,6,7-trimethyl-1-oxo-4-phenyl-3-isoquinolinyl)urea IUPAC Name: 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(2,6,7-trimethyl-1-oxo-4-phenylisoquinolin-3-yl)urea Traditional Name: 1-(1-keto-2,6,7-trimethyl-4-phenyl-3-isoquinolyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NC3=NN=C(S3)C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N(C2=O)C)NC(=O)NC3=NN=C(S3)C)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O2S/c1-12-10-16-17(11-13(12)2)20(28)27(4)19(18(16)15-8-6-5-7-9-15)23-21(29)24-22-26-25-14(3)30-22/h5-11H,1-4H3,(H2,23,24,26,29)