S-[2-[6-[bis(azanyl)methylideneamino]hexylamino]-2-oxidanylidene-ethyl] N-[4-(3-azanylpropylamino)butyl]carbamothioate

Systemtic Name: S-[2-[6-[bis(azanyl)methylideneamino]hexylamino]-2-oxidanylidene-ethyl] N-[4-(3-azanylpropylamino)butyl]carbamothioate Openeye Name: S-[2-(6-guanidinohexylamino)-2-oxo-ethyl] N-[4-(3-aminopropylamino)butyl]carbamothioate CAS Name: N-[4-(3-aminopropylamino)butyl]carbamothioic acid S-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl] ester IUPAC Name: S-[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl] N-[4-(3-aminopropylamino)butyl]carbamothioate Traditional Name: N-[4-(3-aminopropylamino)butyl]thiocarbamic acid S-[2-(6-guanidinohexylamino)-2-keto-ethyl] ester Formula: C17H37N7O2S MolecularWeight: 403.58638

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCN=C(N)N)CCNC(=O)CSC(=O)NCCCCNCCCN

Isomeric SMILES

C(CCCN=C(N)N)CCNC(=O)CSC(=O)NCCCCNCCCN

InChI

InChI=1S/C17H37N7O2S/c18-8-7-10-21-9-5-6-13-24-17(26)27-14-15(25)22-11-3-1-2-4-12-23-16(19)20/h21H,1-14,18H2,(H,22,25)(H,24,26)(H4,19,20,23)