[4-(1-adamantylcarbonylcarbamothioylamino)phenyl]sulfonyl-[bis(azanyl)methylidene]azanium

Systemtic Name: [4-(1-adamantylcarbonylcarbamothioylamino)phenyl]sulfonyl-[bis(azanyl)methylidene]azanium Openeye Name: [4-(adamantane-1-carbonylcarbamothioylamino)phenyl]sulfonyl-(diaminomethylene)ammonium CAS Name: [4-[[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]phenyl]sulfonyl-(diaminomethylidene)ammonium IUPAC Name: [4-(adamantane-1-carbonylcarbamothioylamino)phenyl]sulfonyl-(diaminomethylidene)azanium Traditional Name: [4-(adamantane-1-carbonylthiocarbamoylamino)phenyl]sulfonyl-(diaminomethylene)ammonium Formula: C19H26N5O3S2+ MolecularWeight: 436.57144

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)[NH+]=C(N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)[NH+]=C(N)N

InChI

InChI=1S/C19H25N5O3S2/c20-17(21)24-29(26,27)15-3-1-14(2-4-15)22-18(28)23-16(25)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13H,5-10H2,(H4,20,21,24)(H2,22,23,25,28)/p+1