S-[3-(anthracen-1-ylamino)propyl] ethanethioate

Systemtic Name: S-[3-(anthracen-1-ylamino)propyl] ethanethioate Openeye Name: S-[3-(1-anthrylamino)propyl] ethanethioate CAS Name: ethanethioic acid S-[3-(1-anthracenylamino)propyl] ester IUPAC Name: S-[3-(anthracen-1-ylamino)propyl] ethanethioate Traditional Name: ethanethioic acid S-[3-(1-anthrylamino)propyl] ester Formula: C19H19NOS MolecularWeight: 309.42526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCNC1=CC=CC2=CC3=CC=CC=C3C=C21

Isomeric SMILES

CC(=O)SCCCNC1=CC=CC2=CC3=CC=CC=C3C=C21

InChI

InChI=1S/C19H19NOS/c1-14(21)22-11-5-10-20-19-9-4-8-17-12-15-6-2-3-7-16(15)13-18(17)19/h2-4,6-9,12-13,20H,5,10-11H2,1H3