4-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-acetamido-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]cyclohexanecarboxamide CAS Name: 4-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-acetamido-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]cyclohexanecarboxamide Formula: C22H30N6O3S MolecularWeight: 458.577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC(CC1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC1CCC(CC1)C(=O)NC(CCCN=C(N)N)C(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H30N6O3S/c1-13(29)26-15-10-8-14(9-11-15)20(31)27-17(6-4-12-25-22(23)24)19(30)21-28-16-5-2-3-7-18(16)32-21/h2-3,5,7,14-15,17H,4,6,8-12H2,1H3,(H,26,29)(H,27,31)(H4,23,24,25)