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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-[4-(4-methoxyphenyl)piperazino]acrylonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C=C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C=C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N4OS/c1-26-18-8-6-17(7-9-18)25-12-10-24(11-13-25)15-16(14-22)21-23-19-4-2-3-5-20(19)27-21/h2-9,15H,10-13H2,1H3