4-benzo[b]pyren-6-yl-1-morpholin-4-yl-butane-1-thione

Systemtic Name: 4-benzo[b]pyren-6-yl-1-morpholin-4-yl-butane-1-thione Openeye Name: 4-benzo[b]pyren-6-yl-1-morpholino-butane-1-thione CAS Name: 4-(6-benzo[b]pyrenyl)-1-(4-morpholinyl)-1-butanethione IUPAC Name: 4-benzo[b]pyren-6-yl-1-morpholin-4-ylbutane-1-thione Traditional Name: 4-benzo[b]pyren-6-yl-1-morpholino-butane-1-thione Formula: C28H25NOS MolecularWeight: 423.5692

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62

Isomeric SMILES

C1COCCN1C(=S)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62

InChI

InChI=1S/C28H25NOS/c31-26(29-15-17-30-18-16-29)10-4-9-23-21-7-1-2-8-22(21)24-13-11-19-5-3-6-20-12-14-25(23)28(24)27(19)20/h1-3,5-8,11-14H,4,9-10,15-18H2