1-(1,3-benzothiazol-2-yl)-3-[4-(2-ethyl-1-imidazol-1-yl-butyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[4-(2-ethyl-1-imidazol-1-yl-butyl)phenyl]thiourea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[4-(2-ethyl-1-imidazol-1-yl-butyl)phenyl]thiourea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[4-[2-ethyl-1-(1-imidazolyl)butyl]phenyl]thiourea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[4-(2-ethyl-1-imidazol-1-ylbutyl)phenyl]thiourea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[4-(2-ethyl-1-imidazol-1-yl-butyl)phenyl]thiourea Formula: C23H25N5S2 MolecularWeight: 435.6081

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3S2)N4C=CN=C4

Isomeric SMILES

CCC(CC)C(C1=CC=C(C=C1)NC(=S)NC2=NC3=CC=CC=C3S2)N4C=CN=C4

InChI

InChI=1S/C23H25N5S2/c1-3-16(4-2)21(28-14-13-24-15-28)17-9-11-18(12-10-17)25-22(29)27-23-26-19-7-5-6-8-20(19)30-23/h5-16,21H,3-4H2,1-2H3,(H2,25,26,27,29)