N-[(E)-[5-(4-bromophenyl)-3-dimorpholin-4-ylphosphinothioyl-furan-2-yl]methylideneamino]-N-methyl-methanamine

Systemtic Name: N-[(E)-[5-(4-bromophenyl)-3-dimorpholin-4-ylphosphinothioyl-furan-2-yl]methylideneamino]-N-methyl-methanamine Openeye Name: N-[(E)-[5-(4-bromophenyl)-3-dimorpholinophosphinothioyl-2-furyl]methyleneamino]-N-methyl-methanamine CAS Name: N-[(E)-[3-[bis(4-morpholinyl)phosphinothioyl]-5-(4-bromophenyl)-2-furanyl]methylideneamino]-N-methylmethanamine IUPAC Name: N-[(E)-[5-(4-bromophenyl)-3-dimorpholin-4-ylphosphinothioylfuran-2-yl]methylideneamino]-N-methylmethanamine Traditional Name: [(E)-[5-(4-bromophenyl)-3-dimorpholinothiophosphoryl-2-furyl]methyleneamino]-dimethyl-amine Formula: C21H28BrN4O3PS MolecularWeight: 527.414781

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N=CC1=C(C=C(O1)C2=CC=C(C=C2)Br)P(=S)(N3CCOCC3)N4CCOCC4

Isomeric SMILES

CN(C)/N=C/C1=C(C=C(O1)C2=CC=C(C=C2)Br)P(=S)(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H28BrN4O3PS/c1-24(2)23-16-20-21(15-19(29-20)17-3-5-18(22)6-4-17)30(31,25-7-11-27-12-8-25)26-9-13-28-14-10-26/h3-6,15-16H,7-14H2,1-2H3/b23-16+