(1E)-4-[2-[4-(phenethylsulfanylmethyl)phenyl]phenyl]-N-thiophen-2-ylsulfonyl-butanimidate

Systemtic Name: (1E)-4-[2-[4-(phenethylsulfanylmethyl)phenyl]phenyl]-N-thiophen-2-ylsulfonyl-butanimidate Openeye Name: (1E)-4-[2-[4-(phenethylsulfanylmethyl)phenyl]phenyl]-N-(2-thienylsulfonyl)butanimidate CAS Name: (1E)-4-[2-[4-[(phenethylthio)methyl]phenyl]phenyl]-N-thiophen-2-ylsulfonylbutanimidate IUPAC Name: (1E)-4-[2-[4-(phenethylsulfanylmethyl)phenyl]phenyl]-N-thiophen-2-ylsulfonylbutanimidate Traditional Name: (1E)-4-[2-[4-[(phenethylthio)methyl]phenyl]phenyl]-N-(2-thienylsulfonyl)butyrimidate Formula: C29H28NO3S3- MolecularWeight: 534.73252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCC2=CC=C(C=C2)C3=CC=CC=C3CCCC(=NS(=O)(=O)C4=CC=CS4)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCSCC2=CC=C(C=C2)C3=CC=CC=C3CCC/C(=N\S(=O)(=O)C4=CC=CS4)/[O-]

InChI

InChI=1S/C29H29NO3S3/c31-28(30-36(32,33)29-14-7-20-35-29)13-6-11-25-10-4-5-12-27(25)26-17-15-24(16-18-26)22-34-21-19-23-8-2-1-3-9-23/h1-5,7-10,12,14-18,20H,6,11,13,19,21-22H2,(H,30,31)/p-1