7-[[[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]amino]sulfanylmethyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[[4-(4-ethanimidoyl-1,4-diazepan-1-yl)phenyl]amino]sulfanylmethyl]naphthalene-2-carboximidamide Openeye Name: 7-[[4-(4-ethanimidoyl-1,4-diazepan-1-yl)anilino]sulfanylmethyl]naphthalene-2-carboxamidine CAS Name: 7-[[[4-[4-(1-iminoethyl)-1,4-diazepan-1-yl]anilino]thio]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[4-(4-ethanimidoyl-1,4-diazepan-1-yl)anilino]sulfanylmethyl]naphthalene-2-carboximidamide Traditional Name: 7-[[[4-(4-acetimidoyl-1,4-diazepan-1-yl)anilino]thio]methyl]-2-naphthamidine Formula: C25H30N6S MolecularWeight: 446.6109

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCCN(CC1)C2=CC=C(C=C2)NSCC3=CC4=C(C=C3)C=CC(=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CCCN(CC1)C2=CC=C(C=C2)NSCC3=CC4=C(C=C3)C=CC(=C4)C(=N)N

InChI

InChI=1S/C25H30N6S/c1-18(26)30-11-2-12-31(14-13-30)24-9-7-23(8-10-24)29-32-17-19-3-4-20-5-6-21(25(27)28)16-22(20)15-19/h3-10,15-16,26,29H,2,11-14,17H2,1H3,(H3,27,28)