N-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-2-(1,3,3-trimethylindolin-2-ylidene)thioacetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-2-(1,3,3-trimethyl-2-indolylidene)ethanethioamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-2-(1,3,3-trimethylindol-2-ylidene)ethanethioamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-2-(1,3,3-trimethylindolin-2-ylidene)thioacetamide Formula: C27H26N3S2+ MolecularWeight: 456.64544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(S2)C3=CC=C(C=C3)NC(=S)C=C4C(C5=CC=CC=C5N4C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(S2)C3=CC=C(C=C3)NC(=S)C=C4C(C5=CC=CC=C5N4C)(C)C

InChI

InChI=1S/C27H25N3S2/c1-17-9-14-21-23(15-17)32-26(29-21)18-10-12-19(13-11-18)28-25(31)16-24-27(2,3)20-7-5-6-8-22(20)30(24)4/h5-16H,1-4H3,(H,28,31)/p+1