1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-benzyl-thiourea CAS Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-benzylthiourea Traditional Name: 1-[4-[(1,3-benzothiazol-2-ylamino)sulfamoyl]phenyl]-3-benzyl-thiourea Formula: C21H19N5O2S3 MolecularWeight: 469.60286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NNC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NNC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5O2S3/c27-31(28,26-25-21-24-18-8-4-5-9-19(18)30-21)17-12-10-16(11-13-17)23-20(29)22-14-15-6-2-1-3-7-15/h1-13,26H,14H2,(H,24,25)(H2,22,23,29)