1-[(E)-1-(2H-chromen-3-yl)prop-1-en-2-yl]-4-(3-phenylsulfanylpropyl)piperazine

Systemtic Name: 1-[(E)-1-(2H-chromen-3-yl)prop-1-en-2-yl]-4-(3-phenylsulfanylpropyl)piperazine Openeye Name: 1-[(E)-2-(2H-chromen-3-yl)-1-methyl-vinyl]-4-(3-phenylsulfanylpropyl)piperazine CAS Name: 1-[(E)-1-(2H-1-benzopyran-3-yl)prop-1-en-2-yl]-4-[3-(phenylthio)propyl]piperazine IUPAC Name: 1-[(E)-1-(2H-chromen-3-yl)prop-1-en-2-yl]-4-(3-phenylsulfanylpropyl)piperazine Traditional Name: 1-[(E)-2-(2H-chromen-3-yl)-1-methyl-vinyl]-4-[3-(phenylthio)propyl]piperazine Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC2=CC=CC=C2OC1)N3CCN(CC3)CCCSC4=CC=CC=C4

Isomeric SMILES

C/C(=C\C1=CC2=CC=CC=C2OC1)/N3CCN(CC3)CCCSC4=CC=CC=C4

InChI

InChI=1S/C25H30N2OS/c1-21(18-22-19-23-8-5-6-11-25(23)28-20-22)27-15-13-26(14-16-27)12-7-17-29-24-9-3-2-4-10-24/h2-6,8-11,18-19H,7,12-17,20H2,1H3/b21-18+