N,N'-dinaphthalen-1-yl-2-[[7-(phenylmethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanediamide

Systemtic Name: N,N'-dinaphthalen-1-yl-2-[[7-(phenylmethyl)-1,3-benzothiazol-2-yl]sulfanyl]butanediamide Openeye Name: 2-[(7-benzyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-bis(1-naphthyl)butanediamide CAS Name: N,N'-bis(1-naphthalenyl)-2-[[7-(phenylmethyl)-1,3-benzothiazol-2-yl]thio]butanediamide IUPAC Name: 2-[(7-benzyl-1,3-benzothiazol-2-yl)sulfanyl]-N,N'-dinaphthalen-1-ylbutanediamide Traditional Name: 2-[(7-benzyl-1,3-benzothiazol-2-yl)thio]-N,N'-bis(1-naphthyl)succinamide Formula: C38H29N3O2S2 MolecularWeight: 623.78576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C3C(=CC=C2)N=C(S3)SC(CC(=O)NC4=CC=CC5=CC=CC=C54)C(=O)NC6=CC=CC7=CC=CC=C76

Isomeric SMILES

C1=CC=C(C=C1)CC2=C3C(=CC=C2)N=C(S3)SC(CC(=O)NC4=CC=CC5=CC=CC=C54)C(=O)NC6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C38H29N3O2S2/c42-35(39-31-20-8-15-26-13-4-6-18-29(26)31)24-34(37(43)40-32-21-9-16-27-14-5-7-19-30(27)32)44-38-41-33-22-10-17-28(36(33)45-38)23-25-11-2-1-3-12-25/h1-22,34H,23-24H2,(H,39,42)(H,40,43)