N-[4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[4-(2-guanidinothiazol-4-yl)phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[2-(diaminomethylideneamino)-4-thiazolyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-(2-guanidinothiazol-4-yl)phenyl]benzamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C21H23N5OS/c1-21(2,3)15-8-4-14(5-9-15)18(27)24-16-10-6-13(7-11-16)17-12-28-20(25-17)26-19(22)23/h4-12H,1-3H3,(H,24,27)(H4,22,23,25,26)