N-[(Z)-N'-[4-[1-[(N-cyano-N'-methyl-carbamimidoyl)amino]butyl]-1,3-thiazol-2-yl]carbamimidoyl]benzamide

Systemtic Name: N-[(Z)-N'-[4-[1-[(N-cyano-N'-methyl-carbamimidoyl)amino]butyl]-1,3-thiazol-2-yl]carbamimidoyl]benzamide Openeye Name: N-[(Z)-N'-[4-[1-[(N-cyano-N'-methyl-carbamimidoyl)amino]butyl]thiazol-2-yl]carbamimidoyl]benzamide CAS Name: N-[(Z)-amino-[[4-[1-[[(cyanoamino)-methyliminomethyl]amino]butyl]-2-thiazolyl]imino]methyl]benzamide IUPAC Name: N-[(Z)-N'-[4-[1-[(N-cyano-N'-methylcarbamimidoyl)amino]butyl]-1,3-thiazol-2-yl]carbamimidoyl]benzamide Traditional Name: N-[(Z)-N'-[4-[1-[(N-cyano-N'-methyl-amidino)amino]butyl]thiazol-2-yl]amidino]benzamide Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CSC(=N1)N=C(N)NC(=O)C2=CC=CC=C2)NC(=NC)NC#N

Isomeric SMILES

CCCC(C1=CSC(=N1)/N=C(/N)\NC(=O)C2=CC=CC=C2)NC(=NC)NC#N

InChI

InChI=1S/C18H22N8OS/c1-3-7-13(23-17(21-2)22-11-19)14-10-28-18(24-14)26-16(20)25-15(27)12-8-5-4-6-9-12/h4-6,8-10,13H,3,7H2,1-2H3,(H2,21,22,23)(H3,20,24,25,26,27)