4-[2-[(3S)-3-(azepan-1-yl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(3S)-3-(azepan-1-yl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzenecarbonitrile Openeye Name: 4-[2-[(3S)-3-(azepan-1-yl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzonitrile CAS Name: 4-[2-[(3S)-3-(1-azepanyl)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]benzonitrile IUPAC Name: 4-[2-[(3S)-3-(azepan-1-yl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzonitrile Traditional Name: 4-[2-[(3S)-3-(azepan-1-yl)pyrrolidino]-1,3-benzothiazol-6-yl]benzonitrile Formula: C24H26N4S MolecularWeight: 402.55504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(C2)C3=NC4=C(S3)C=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCCN(CC1)[C@H]2CCN(C2)C3=NC4=C(S3)C=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C24H26N4S/c25-16-18-5-7-19(8-6-18)20-9-10-22-23(15-20)29-24(26-22)28-14-11-21(17-28)27-12-3-1-2-4-13-27/h5-10,15,21H,1-4,11-14,17H2/t21-/m0/s1