S-(phenylmethyl) 4-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)butanethioate

Systemtic Name: S-(phenylmethyl) 4-[bis(azanyl)methylideneamino]-2-(phenylmethoxycarbonylamino)butanethioate Openeye Name: S-benzyl 2-(benzyloxycarbonylamino)-4-guanidino-butanethioate CAS Name: 4-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)butanethioic acid S-(phenylmethyl) ester IUPAC Name: S-benzyl 4-(diaminomethylideneamino)-2-(phenylmethoxycarbonylamino)butanethioate Traditional Name: 2-(benzyloxycarbonylamino)-4-guanidino-butanethioic acid S-benzyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCN=C(N)N)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCN=C(N)N)C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C20H24N4O3S/c21-19(22)23-12-11-17(18(25)28-14-16-9-5-2-6-10-16)24-20(26)27-13-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,24,26)(H4,21,22,23)