2-(1,3-benzothiazol-2-yl)-3-[4-(diphenylmethyl)piperazin-1-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(diphenylmethyl)piperazin-1-yl]prop-2-enenitrile Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(diphenylmethyl)-1-piperazinyl]-2-propenenitrile IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-2-(1,3-benzothiazol-2-yl)prop-2-enenitrile Traditional Name: 3-(4-benzhydrylpiperazino)-2-(1,3-benzothiazol-2-yl)acrylonitrile Formula: C27H24N4S MolecularWeight: 436.57126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C(C#N)C2=NC3=CC=CC=C3S2)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C=C(C#N)C2=NC3=CC=CC=C3S2)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4S/c28-19-23(27-29-24-13-7-8-14-25(24)32-27)20-30-15-17-31(18-16-30)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,20,26H,15-18H2