N-(1H-benzimidazol-2-yl)-3-[3-(1H-benzimidazol-2-ylamino)-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-3-[3-(1H-benzimidazol-2-ylamino)-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: N-(1H-benzimidazol-2-yl)-3-[3-(1H-benzimidazol-2-ylamino)-3-oxo-propyl]sulfanyl-propanamide CAS Name: N-(1H-benzimidazol-2-yl)-3-[[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]thio]propanamide IUPAC Name: N-(1H-benzimidazol-2-yl)-3-[3-(1H-benzimidazol-2-ylamino)-3-oxopropyl]sulfanylpropanamide Traditional Name: N-(1H-benzimidazol-2-yl)-3-[[3-(1H-benzimidazol-2-ylamino)-3-keto-propyl]thio]propionamide Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NC(=O)CCSCCC(=O)NC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NC(=O)CCSCCC(=O)NC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20N6O2S/c27-17(25-19-21-13-5-1-2-6-14(13)22-19)9-11-29-12-10-18(28)26-20-23-15-7-3-4-8-16(15)24-20/h1-8H,9-12H2,(H2,21,22,25,27)(H2,23,24,26,28)