N-(1,3-benzothiazol-2-yl)-3-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-[3-(1,3-benzothiazol-2-ylamino)-3-oxo-propyl]sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[[3-(1,3-benzothiazol-2-ylamino)-3-keto-propyl]thio]propionamide Formula: C20H18N4O2S3 MolecularWeight: 442.57752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCSCCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCSCCC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N4O2S3/c25-17(23-19-21-13-5-1-3-7-15(13)28-19)9-11-27-12-10-18(26)24-20-22-14-6-2-4-8-16(14)29-20/h1-8H,9-12H2,(H,21,23,25)(H,22,24,26)