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

Systemtic Name: 2-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]ethanamide Openeye Name: 2-acetamido-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]acetamide CAS Name: 2-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]acetamide IUPAC Name: 2-acetamido-N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]acetamide Traditional Name: 2-acetamido-N-[1-(1,3-benzothiazole-2-carbonyl)-4-guanidino-butyl]acetamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N6O3S/c1-10(24)21-9-14(25)22-12(6-4-8-20-17(18)19)15(26)16-23-11-5-2-3-7-13(11)27-16/h2-3,5,7,12H,4,6,8-9H2,1H3,(H,21,24)(H,22,25)(H4,18,19,20)