1-[(E)-1-(1-adamantyl)ethylideneamino]-3-[(4-chlorophenyl)carbothioylamino]thiourea

Systemtic Name: 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-[(4-chlorophenyl)carbothioylamino]thiourea Openeye Name: 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-[(4-chlorobenzenecarbothioyl)amino]thiourea CAS Name: 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-[[(4-chlorophenyl)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-[(4-chlorobenzenecarbothioyl)amino]thiourea Traditional Name: 1-[(E)-1-(1-adamantyl)ethylideneamino]-3-[(4-chlorothiobenzoyl)amino]thiourea Formula: C20H25ClN4S2 MolecularWeight: 421.0223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4S2/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)22-24-19(27)25-23-18(26)16-2-4-17(21)5-3-16/h2-5,13-15H,6-11H2,1H3,(H,23,26)(H2,24,25,27)/b22-12+