1-[2-[[4-(1,3-benzothiazol-2-ylamino)cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-[[4-(1,3-benzothiazol-2-ylamino)cyclohexyl]amino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: 1-[2-[[4-(1,3-benzothiazol-2-ylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile CAS Name: 1-[2-[[4-(1,3-benzothiazol-2-ylamino)cyclohexyl]amino]-1-oxoethyl]-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-[[4-(1,3-benzothiazol-2-ylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: 1-[2-[[4-(1,3-benzothiazol-2-ylamino)cyclohexyl]amino]acetyl]pyrrolidine-2-carbonitrile Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC2CCC(CC2)NC3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)CNC2CCC(CC2)NC3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C20H25N5OS/c21-12-16-4-3-11-25(16)19(26)13-22-14-7-9-15(10-8-14)23-20-24-17-5-1-2-6-18(17)27-20/h1-2,5-6,14-16,22H,3-4,7-11,13H2,(H,23,24)