N-[9,10-bis(oxidanylidene)-4-phenylsulfanyl-anthracen-1-yl]-3-chloranyl-benzamide

Systemtic Name: N-[9,10-bis(oxidanylidene)-4-phenylsulfanyl-anthracen-1-yl]-3-chloranyl-benzamide Openeye Name: 3-chloro-N-(9,10-dioxo-4-phenylsulfanyl-1-anthryl)benzamide CAS Name: 3-chloro-N-[9,10-dioxo-4-(phenylthio)-1-anthracenyl]benzamide IUPAC Name: 3-chloro-N-(9,10-dioxo-4-phenylsulfanylanthracen-1-yl)benzamide Traditional Name: 3-chloro-N-[9,10-diketo-4-(phenylthio)-1-anthryl]benzamide Formula: C27H16ClNO3S MolecularWeight: 469.93884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C3C(=C(C=C2)NC(=O)C4=CC(=CC=C4)Cl)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C3C(=C(C=C2)NC(=O)C4=CC(=CC=C4)Cl)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C27H16ClNO3S/c28-17-8-6-7-16(15-17)27(32)29-21-13-14-22(33-18-9-2-1-3-10-18)24-23(21)25(30)19-11-4-5-12-20(19)26(24)31/h1-15H,(H,29,32)