N-[(4-methoxyphenyl)methyl]-6-methyl-5,5-bis(oxidanylidene)-11H-benzo[c][1,2,5]benzothiadiazepin-8-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-6-methyl-5,5-bis(oxidanylidene)-11H-benzo[c][1,2,5]benzothiadiazepin-8-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-6-methyl-5,5-dioxo-11H-benzo[c][1,2,5]benzothiadiazepin-8-amine CAS Name: N-[(4-methoxyphenyl)methyl]-6-methyl-5,5-dioxo-11H-benzo[c][1,2,5]benzothiadiazepin-8-amine IUPAC Name: N-[(4-methoxyphenyl)methyl]-6-methyl-5,5-dioxo-11H-benzo[c][1,2,5]benzothiadiazepin-8-amine Traditional Name: (5,5-diketo-6-methyl-11H-benzo[c][1,2,5]benzothiadiazepin-8-yl)-p-anisyl-amine Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)NCC3=CC=C(C=C3)OC)NC4=CC=CC=C4S1(=O)=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)NCC3=CC=C(C=C3)OC)NC4=CC=CC=C4S1(=O)=O

InChI

InChI=1S/C21H21N3O3S/c1-24-20-13-16(22-14-15-7-10-17(27-2)11-8-15)9-12-18(20)23-19-5-3-4-6-21(19)28(24,25)26/h3-13,22-23H,14H2,1-2H3