1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-phenyl-thiourea CAS Name: 1-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-phenylthiourea Traditional Name: 1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]-3-phenyl-thiourea Formula: C22H18N4OS3 MolecularWeight: 450.59952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N4OS3/c27-20(25-26-21(28)23-17-6-2-1-3-7-17)16-12-10-15(11-13-16)14-29-22-24-18-8-4-5-9-19(18)30-22/h1-13H,14H2,(H,25,27)(H2,23,26,28)