4-(8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)-N,N-dimethyl-aniline

Systemtic Name: 4-(8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)-N,N-dimethyl-aniline Openeye Name: 4-[8-methoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepin-2-yl]-N,N-dimethyl-aniline CAS Name: 4-(8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)-N,N-dimethylaniline IUPAC Name: 4-(8-methoxy-4-thiophen-2-yl-1H-1,3,5-benzotriazepin-2-yl)-N,N-dimethylaniline Traditional Name: [4-[8-methoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepin-2-yl]phenyl]-dimethyl-amine Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=CS4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=CS4

InChI

InChI=1S/C21H20N4OS/c1-25(2)15-8-6-14(7-9-15)20-23-18-13-16(26-3)10-11-17(18)22-21(24-20)19-5-4-12-27-19/h4-13H,1-3H3,(H,22,23,24)