N-[6-[1,4-bis(oxidanylidene)pentan-2-ylamino]-6-oxidanylidene-5-thiophen-2-yl-hexyl]-4-(quinoxalin-2-ylamino)benzamide

Systemtic Name: N-[6-[1,4-bis(oxidanylidene)pentan-2-ylamino]-6-oxidanylidene-5-thiophen-2-yl-hexyl]-4-(quinoxalin-2-ylamino)benzamide Openeye Name: N-[6-[(1-formyl-3-oxo-butyl)amino]-6-oxo-5-(2-thienyl)hexyl]-4-(quinoxalin-2-ylamino)benzamide CAS Name: N-[6-(1,4-dioxopentan-2-ylamino)-6-oxo-5-thiophen-2-ylhexyl]-4-(2-quinoxalinylamino)benzamide IUPAC Name: N-[6-(1,4-dioxopentan-2-ylamino)-6-oxo-5-thiophen-2-ylhexyl]-4-(quinoxalin-2-ylamino)benzamide Traditional Name: N-[6-[(1-formyl-3-keto-butyl)amino]-6-keto-5-(2-thienyl)hexyl]-4-(quinoxalin-2-ylamino)benzamide Formula: C30H31N5O4S MolecularWeight: 557.66324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C=O)NC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2)C4=CC=CS4

Isomeric SMILES

CC(=O)CC(C=O)NC(=O)C(CCCCNC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2)C4=CC=CS4

InChI

InChI=1S/C30H31N5O4S/c1-20(37)17-23(19-36)34-30(39)24(27-10-6-16-40-27)7-4-5-15-31-29(38)21-11-13-22(14-12-21)33-28-18-32-25-8-2-3-9-26(25)35-28/h2-3,6,8-14,16,18-19,23-24H,4-5,7,15,17H2,1H3,(H,31,38)(H,33,35)(H,34,39)