phenyl 4-[bis(azanyl)methylideneamino]benzoate; 1-(sulfinoamino)propane

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]benzoate; 1-(sulfinoamino)propane Openeye Name: phenyl 4-guanidinobenzoate; 1-(sulfinoamino)propane CAS Name: 4-(diaminomethylideneamino)benzoic acid phenyl ester; 1-(sulfinoamino)propane IUPAC Name: phenyl 4-(diaminomethylideneamino)benzoate; 1-(sulfinoamino)propane Traditional Name: 4-guanidinobenzoic acid phenyl ester; 1-(sulfinoamino)propane Formula: C17H22N4O4S MolecularWeight: 378.44598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)O.C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CCCNS(=O)O.C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C14H13N3O2.C3H9NO2S/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12;1-2-3-4-7(5)6/h1-9H,(H4,15,16,17);4H,2-3H2,1H3,(H,5,6)