N'-[2-[(2-hexan-3-ylphenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboximidamide

Systemtic Name: N'-[2-[(2-hexan-3-ylphenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboximidamide Openeye Name: N'-[2-[[2-(1-ethylbutyl)phenyl]methylamino]indan-5-yl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamidine CAS Name: N'-[2-[(2-hexan-3-ylphenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboximidamide IUPAC Name: N'-[2-[(2-hexan-3-ylphenyl)methylamino]-2,3-dihydro-1H-inden-5-yl]-6-sulfanylidenecyclohexa-1,3-diene-1-carboximidamide Traditional Name: N'-[2-[[2-(1-ethylbutyl)benzyl]amino]indan-5-yl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamidine Formula: C29H35N3S MolecularWeight: 457.6733

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C1=CC=CC=C1CNC2CC3=C(C2)C=C(C=C3)N=C(C4=CC=CCC4=S)N

Isomeric SMILES

CCCC(CC)C1=CC=CC=C1CNC2CC3=C(C2)C=C(C=C3)N=C(C4=CC=CCC4=S)N

InChI

InChI=1S/C29H35N3S/c1-3-9-20(4-2)26-11-6-5-10-22(26)19-31-25-16-21-14-15-24(17-23(21)18-25)32-29(30)27-12-7-8-13-28(27)33/h5-8,10-12,14-15,17,20,25,31H,3-4,9,13,16,18-19H2,1-2H3,(H2,30,32)