1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-fluorobenzyl)thiourea Formula: C22H18FN3S2 MolecularWeight: 407.526823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=S)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)NC(=S)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FN3S2/c23-17-9-5-16(6-10-17)14-24-22(27)25-18-11-7-15(8-12-18)13-21-26-19-3-1-2-4-20(19)28-21/h1-12H,13-14H2,(H2,24,25,27)