N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-isobutyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]phthalazine-1-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\3/N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H21N5O2S/c1-13(2)12-26-20(28)15-9-5-4-8-14(15)18(24-26)19(27)22-23-21-25(3)16-10-6-7-11-17(16)29-21/h4-11,13H,12H2,1-3H3,(H,22,27)/b23-21-