4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]-N-[1-(cyanomethylamino)-3-methyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-propyl]-4-(2-guanidinothiazol-4-yl)benzamide CAS Name: N-[1-(cyanomethylamino)-3-methyl-1-oxobutan-2-yl]-4-[2-(diaminomethylideneamino)-4-thiazolyl]benzamide IUPAC Name: N-[1-(cyanomethylamino)-3-methyl-1-oxobutan-2-yl]-4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[1-(cyanomethylcarbamoyl)-2-methyl-propyl]-4-(2-guanidinothiazol-4-yl)benzamide Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)N=C(N)N

Isomeric SMILES

CC(C)C(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)N=C(N)N

InChI

InChI=1S/C18H21N7O2S/c1-10(2)14(16(27)22-8-7-19)24-15(26)12-5-3-11(4-6-12)13-9-28-18(23-13)25-17(20)21/h3-6,9-10,14H,8H2,1-2H3,(H,22,27)(H,24,26)(H4,20,21,23,25)