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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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