3-[3-[(E)-3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-oxidanylidene-3-(4-thiophen-2-ylcarbonylpiperazin-1-yl)prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-oxo-3-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]prop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-oxo-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]prop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-keto-3-[4-(2-thenoyl)piperazino]prop-1-enyl]indol-1-yl]propionitrile Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CN(C3=CC=CC=C32)CCC#N)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CN(C3=CC=CC=C32)CCC#N)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H22N4O2S/c24-10-4-11-27-17-18(19-5-1-2-6-20(19)27)8-9-22(28)25-12-14-26(15-13-25)23(29)21-7-3-16-30-21/h1-3,5-9,16-17H,4,11-15H2/b9-8+