N-[3-(1-adamantyl)-4-methoxy-phenyl]methanethioamide

Systemtic Name: N-[3-(1-adamantyl)-4-methoxy-phenyl]methanethioamide Openeye Name: N-[3-(1-adamantyl)-4-methoxy-phenyl]thioformamide CAS Name: N-[3-(1-adamantyl)-4-methoxyphenyl]methanethioamide IUPAC Name: N-[3-(1-adamantyl)-4-methoxyphenyl]methanethioamide Traditional Name: N-[3-(1-adamantyl)-4-methoxy-phenyl]thioformamide Formula: C18H23NOS MolecularWeight: 301.44632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC=S)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC=S)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H23NOS/c1-20-17-3-2-15(19-11-21)7-16(17)18-8-12-4-13(9-18)6-14(5-12)10-18/h2-3,7,11-14H,4-6,8-10H2,1H3,(H,19,21)