1-[(E)-1-[4-(1-adamantyl)phenyl]butylideneamino]thiourea

Systemtic Name: 1-[(E)-1-[4-(1-adamantyl)phenyl]butylideneamino]thiourea Openeye Name: [(E)-1-[4-(1-adamantyl)phenyl]butylideneamino]thiourea CAS Name: [(E)-1-[4-(1-adamantyl)phenyl]butylideneamino]thiourea IUPAC Name: [(E)-1-[4-(1-adamantyl)phenyl]butylideneamino]thiourea Traditional Name: [(E)-1-[4-(1-adamantyl)phenyl]butylideneamino]thiourea Formula: C21H29N3S MolecularWeight: 355.54006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=S)N)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCC/C(=N\NC(=S)N)/C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3S/c1-2-3-19(23-24-20(22)25)17-4-6-18(7-5-17)21-11-14-8-15(12-21)10-16(9-14)13-21/h4-7,14-16H,2-3,8-13H2,1H3,(H3,22,24,25)/b23-19+