1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenethyl-thiourea

Systemtic Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenethylthiourea IUPAC Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenethylthiourea Traditional Name: 1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-phenethyl-thiourea Formula: C23H21N3S2 MolecularWeight: 403.56294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3S2/c1-16-7-12-20-21(15-16)28-22(26-20)18-8-10-19(11-9-18)25-23(27)24-14-13-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H2,24,25,27)