[4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]phenyl] thiocyanate

Systemtic Name: [4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]phenyl] thiocyanate Openeye Name: [4-[(4-morpholinosulfonylphenyl)carbamothioylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [4-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]phenyl] ester Formula: C18H18N4O3S3 MolecularWeight: 434.55552

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C18H18N4O3S3/c19-13-27-16-5-1-14(2-6-16)20-18(26)21-15-3-7-17(8-4-15)28(23,24)22-9-11-25-12-10-22/h1-8H,9-12H2,(H2,20,21,26)