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

Systemtic Name: phenyl 4-[bis(azanyl)methylideneamino]benzoate; 1-(sulfinoamino)butane Openeye Name: phenyl 4-guanidinobenzoate; 1-(sulfinoamino)butane CAS Name: 4-(diaminomethylideneamino)benzoic acid phenyl ester; 1-(sulfinoamino)butane IUPAC Name: phenyl 4-(diaminomethylideneamino)benzoate; 1-(sulfinoamino)butane Traditional Name: 4-guanidinobenzoic acid phenyl ester; 1-(sulfinoamino)butane Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O2.C4H11NO2S/c15-14(16)17-11-8-6-10(7-9-11)13(18)19-12-4-2-1-3-5-12;1-2-3-4-5-8(6)7/h1-9H,(H4,15,16,17);5H,2-4H2,1H3,(H,6,7)