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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-3-cyclopropyl-thiourea Openeye Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-cyclopropyl-thiourea CAS Name: 1-[[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-3-cyclopropylthiourea IUPAC Name: 1-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]-3-cyclopropylthiourea Traditional Name: 1-[[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]amino]-3-cyclopropyl-thiourea Formula: C19H18N4OS3 MolecularWeight: 414.56742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1NC(=S)NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4OS3/c24-17(22-23-18(25)20-14-9-10-14)13-7-5-12(6-8-13)11-26-19-21-15-3-1-2-4-16(15)27-19/h1-8,14H,9-11H2,(H,22,24)(H2,20,23,25)