N-[2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanyl-4-oxidanyl-phenyl]-3-ethyl-heptanamide

Systemtic Name: N-[2-[1-azanyl-4-oxidanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanyl-4-oxidanyl-phenyl]-3-ethyl-heptanamide Openeye Name: N-[2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthryl)sulfanyl]-4-hydroxy-phenyl]-3-ethyl-heptanamide CAS Name: N-[2-[(1-amino-4-hydroxy-9,10-dioxo-2-anthracenyl)thio]-4-hydroxyphenyl]-3-ethylheptanamide IUPAC Name: N-[2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)sulfanyl-4-hydroxyphenyl]-3-ethylheptanamide Traditional Name: N-[2-[(1-amino-4-hydroxy-9,10-diketo-2-anthryl)thio]-4-hydroxy-phenyl]-3-ethyl-enanthamide Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=O)NC1=C(C=C(C=C1)O)SC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

Isomeric SMILES

CCCCC(CC)CC(=O)NC1=C(C=C(C=C1)O)SC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N

InChI

InChI=1S/C29H30N2O5S/c1-3-5-8-16(4-2)13-24(34)31-20-12-11-17(32)14-22(20)37-23-15-21(33)25-26(27(23)30)29(36)19-10-7-6-9-18(19)28(25)35/h6-7,9-12,14-16,32-33H,3-5,8,13,30H2,1-2H3,(H,31,34)