(1Z)-1-(1-azanylheptylidene)-3-(4-bromanyl-3-tert-butyl-phenyl)thiourea

Systemtic Name: (1Z)-1-(1-azanylheptylidene)-3-(4-bromanyl-3-tert-butyl-phenyl)thiourea Openeye Name: (1Z)-1-(1-aminoheptylidene)-3-(4-bromo-3-tert-butyl-phenyl)thiourea CAS Name: (1Z)-1-(1-aminoheptylidene)-3-(4-bromo-3-tert-butylphenyl)thiourea IUPAC Name: (1Z)-1-(1-aminoheptylidene)-3-(4-bromo-3-tert-butylphenyl)thiourea Traditional Name: (1Z)-1-(1-aminoheptylidene)-3-(4-bromo-3-tert-butyl-phenyl)thiourea Formula: C18H28BrN3S MolecularWeight: 398.40402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=NC(=S)NC1=CC(=C(C=C1)Br)C(C)(C)C)N

Isomeric SMILES

CCCCCC/C(=N/C(=S)NC1=CC(=C(C=C1)Br)C(C)(C)C)/N

InChI

InChI=1S/C18H28BrN3S/c1-5-6-7-8-9-16(20)22-17(23)21-13-10-11-15(19)14(12-13)18(2,3)4/h10-12H,5-9H2,1-4H3,(H3,20,21,22,23)