N-[bis(azanyl)methylidene]-2-[4-(2-imidazol-1-ylethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-[4-(2-imidazol-1-ylethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-(diaminomethylene)-2-[4-(2-imidazol-1-ylethyl)phenyl]-4-methyl-thiazole-5-carboxamide CAS Name: N-(diaminomethylidene)-2-[4-[2-(1-imidazolyl)ethyl]phenyl]-4-methyl-5-thiazolecarboxamide IUPAC Name: N-(diaminomethylidene)-2-[4-(2-imidazol-1-ylethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-(diaminomethylene)-2-[4-(2-imidazol-1-ylethyl)phenyl]-4-methyl-thiazole-5-carboxamide Formula: C17H18N6OS MolecularWeight: 354.42942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=C(C=C2)CCN3C=CN=C3)C(=O)N=C(N)N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)CCN3C=CN=C3)C(=O)N=C(N)N

InChI

InChI=1S/C17H18N6OS/c1-11-14(15(24)22-17(18)19)25-16(21-11)13-4-2-12(3-5-13)6-8-23-9-7-20-10-23/h2-5,7,9-10H,6,8H2,1H3,(H4,18,19,22,24)